Tag: M.W=150-200

Lotfy, Hayam Mahmoud published the artcileStability indicating spectrophotometric methods for determination of Nicardipine in the presence of its alkaline induced degradation products, Formula: C10H15NO, the publication is International Journal of Pharmacy and Pharmaceutical Sciences (2016), 8(3), 62-66, database is CAplus.

Objective: Derivative, ratio spectra derivative and ratio difference spectrophotometric methods were developed and validated for simultaneous determination of Nicardipine (NIC) in the presence of its alk. induced degradation products. Methods: In these methods the overlapped spectra of NIC and its alk. induced degradation products were well resolved by measuring the amplitudes of first derivative (D1) spectra and the second derivative (D2) at 382.3 and 239 nm, resp. NIC was determined by ratio spectra derivative by measuring the amplitude at 244 nm. The ratio difference spectrophotometric method was developed in which the difference between amplitudes at 237.5 nm and 260 nm of the ratio spectra were recorded. The linearity range for the applied methods was 2-18 μg/mL. Results: All the developed methods were validated according to ICH Guidelines, NIC was determined with acceptable accuracy and precision. Conclusion: These methods were suitable as stability indicating methods for the determination of NIC in the presence of its alk. induced degradation products either in bulk powder or in a pharmaceutical formulation. Statistical anal. of the results with those obtained by applying a reported method has been carried out revealing high accuracy and good precision.

International Journal of Pharmacy and Pharmaceutical Sciences published new progress about 101-98-4. 101-98-4 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Alcohol, name is 2-(Benzyl(methyl)amino)ethanol, and the molecular formula is C10H15NO, Formula: C10H15NO.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Abdel-Kader, Nora S. published the artcileSpectroscopic studies, density functional theory calculations, non-linear optical properties, biological activity of 1-hydroxy-4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)diazenyl)-2-naphthoic acid and its chelates with Nickel(II), Copper(II), Zinc(II) and Palladium(II) metal ions, Computed Properties of 86-48-6, the publication is Journal of Molecular Structure (2021), 129203, database is CAplus.

Novel Nickel(II), Copper(II), Zinc(II) and Palladium(II) chelates with 1-hydroxy-4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)diazenyl)-2-naphthoic acid (H₃L) have been produced and clarified using several physicochem. techniques. Quantum mech. calculations of energies, geometries were achieved by using the d. functional theory with Becke’s three parameter exchange functional, the Lee_Yang_Parr correlation functional (B3LYP/GEN) combined with 6.311 G (d,p) and LANL2DZ basis sets. The analyses of HOMO and LUMO have been used to justify the charge transfer within the ligand and its chelates. The considered small energy gap between Occupied MO (HOMO) and LUMO energies expressions that the charge transfer occurs within the ligand and its chelates. The results show that the azo dye ligand exists in two tautomeric structures, the first structure (H₃L), the sulfonamide (SO₂NH), while the second one, the sulfonamide group in enolic form (H₂L-OH). The H₂L-OH tautomer has energy of 12.93 kcal/mol higher than that of H₃L. The structure of H₃L was the most stable and used as the ligand in this study. The bond lengths of Ni(II) ion with the donating sites of the ligand in Ni-(H₂L)₂ chelate suggest a distorted octahedral geometry, Cu₂-(L) chelate, suggests a highly distorted tetrahedral geometry, Zn-(HL) chelate displays a distorted octahedral geometry, Pd-(H₂L) chelate approves a distorted square planar geometry around its own central metal ion. Geometrical parameters, mol. electrostatic potential maps and total electron densities analyses of the ligand and its chelates have been carried out. Mol. stability, hyper conjugative interactions, intramol. charge transfer and bond strength have been examined by applying of natural bond orbital (NBO) anal. Total static dipole moment, mean polarizability, anisotropy of the polarizability, mean first-order hyperpolarizability have been also achieved. From the mol. hyperpolarizability (<β>), The computed (<β>) values show that for the ligand (H₃L) and its Ni-(H₂L)₂, Cu₂-(L), Zn-(HL) and Pd-(H₂L) are ∼23, ∼70, ∼44, ∼132 and ∼38 times greater than that of Urea, indicating all the studied ligand and its chelates reveal significant polarizability and first-order hyperpolarizability and are predicted to be successful for Non-Linear Optical (NLO) materials. The analyses of the chelates indicate that the Zn(II) and Pd(II) form 1:1, Ni(II) form 1:2 while Cu(II) ion form 2:1 (M:L) and non-electrolytic behavior of chelates indicate the absence of counter ion. Ni-(H₂L)₂ complex had zero antibacterial activity against E. coli while its activity is higher than the azo dye against Staphylococcus aureus. Pd-H₂L complex had almost the same activity as the azo dye against both types of bacteria. The higher activity of Zn-HL and Cu₂-L complexes can be explained by their chelation.

Journal of Molecular Structure published new progress about 86-48-6. 86-48-6 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment,Natural product, name is 1-Hydroxy-2-naphthoic acid, and the molecular formula is C11H8O3, Computed Properties of 86-48-6.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Abdel-Kader, Nora S. published the artcileCombined experimental, DFT theoretical calculations and biological activity of sulfaclozine azo dye with 1-hydroxy-2-naphthoic acid and its complexes with some metal ions, Formula: C11H8O3, the publication is New Journal of Chemistry (2019), 43(44), 17466-17485, database is CAplus.

Sulfaclozine-1-hydroxy-2-naphthoic acid azo dye (Scna) and its metal complexes with Ni(II) Cu(II), Zn(II) and Pd(II) metal ions were prepared and characterized using different techniques. The nonisothermal degradation of Pd(II)-(Scna) was studied using Flynn-Wall-Ozawa and Starink methods at various heating rates (5, 10, 15 and 20° min^-1) from the TG/derivative TG (TG/DrTG) and DTA curves. The values of the activation energy (E) obtained using the two methods are in impeccable harmony. Theor. studies (d. functional theory, DFT) were also carried out to support the corresponding exptl. results. Computational calculations were achieved using a DFT/GEN level of theory. Theor. aspects, in terms of geometrical optimization and mol. charge d. plots are also mentioned using the standard basis set LANL2DZ for metal ions. A suitable distorted square planar for Pd-(Scna), distorted tetrahedral for Cu₂-(Scna), and distorted octahedral with Ni-(Scna) and Zn-(Scna)₂ structures were observed for the complexes. The electronic structure and nonlinear optical parameters (NLO) of the complexes were calculated The nature of the interaction between the metal ions and the ligand, mol. stability and bond strengths were studied using DFT calculations employing natural bond orbital (NBO) anal. The complexes are nonplanar and demonstrate the expected optical properties. The synthesized ligand (Scna) and its complexes were screened for antimicrobial activity against bacteria, Staphylococcus aureus as the Gram-pos. and Escherichia coli as the Gram-neg., using the disk diffusion method. The Zn-(Scna)₂ complex displayed the highest activity against both bacteria.

New Journal of Chemistry published new progress about 86-48-6. 86-48-6 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment,Natural product, name is 1-Hydroxy-2-naphthoic acid, and the molecular formula is C11H8O3, Formula: C11H8O3.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Tian, Maoqun published the artcileDiscovery and Structure Relationships of Salicylanilide Derivatives as Potent, Non-acidic P2X1 Receptor Antagonists, Recommanded Product: 1-Hydroxy-2-naphthoic acid, the publication is Journal of Medicinal Chemistry (2020), 63(11), 6164-6178, database is CAplus and MEDLINE.

Antagonists for the ATP-gated ion channel receptor P2X1 have potential as antithrombotics and for treating hyperactive bladder and inflammation. In this study, salicylanilide derivatives were synthesized based on a screening hit. P2X1 antagonistic potency was assessed in 1321N1 astrocytoma cells stably transfected with the human P2X1 receptor by measuring inhibition of the ATP-induced calcium influx. Structure-activity relationships were analyzed, and selectivity vs. other P2X receptor subtypes was assessed. The most potent compounds, N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide (1, IC₅₀ 0.0192 μM)(I) and N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-hydroxybenzamide (14, IC₅₀ 0.0231 μM)(II), displayed >500-fold selectivity vs. P2X2 and P2X3, and 10-fold selectivity vs. P2X4 and P2X7 receptors, and inhibited collagen-induced platelet aggregation. They behaved as neg. allosteric modulators, and mol. modeling studies suggested an extracellular binding site. Besides selective P2X1 antagonists, compounds with ancillary P2X4 and/or P2X7 receptor inhibition were discovered. These compounds represent the first potent, non-acidic, allosteric P2X1 receptor antagonists reported to date.

Journal of Medicinal Chemistry published new progress about 86-48-6. 86-48-6 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment,Natural product, name is 1-Hydroxy-2-naphthoic acid, and the molecular formula is C14H26O2, Recommanded Product: 1-Hydroxy-2-naphthoic acid.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Some low molecular weight alcohols of industrial importance are produced by the addition of water to alkenes. 141699-55-0, formula is C8H15NO3, Ethanol, isopropanol, 2-butanol, and tert-butanol are produced by this general method. Two implementations are employed, the direct and indirect methods. Recommanded Product: tert-Butyl 3-hydroxyazetidine-1-carboxylate

Zhersh, Sergey A.;Blahun, Oleksandr P.;Sadkova, Iryna V.;Tolmachev, Andrey A.;Moroz, Yurii S.;Mykhailiuk, Pavel K. research published 《 Saturated Heterocyclic Aminosulfonyl Fluorides: New Scaffolds for Protecting-Group-Free Synthesis of Sulfonamides》, the research content is summarized as follows. Cyclic saturated aminosulfonyl fluorides were synthesized as their HCl salts. The compounds were found to be stable upon storage and could be used for the protecting-group-free synthesis of sulfonamides. In the presence of the -SO₂F group, the nitrogen atom was modified by means of acylation, arylation and reductive amination to give products that have high potential for the synthesis of bioactive compounds

141699-55-0, Tert-butyl 3-hydroxyazetidine-1-carboxylate is a useful research compound. Its molecular formula is C8H15NO3 and its molecular weight is 173.21 g/mol. The purity is usually 95%.

Tert-butyl 3-hydroxyazetidine-1-carboxylate has been shown to be a good substrate for the preparation of N-protected amino alcohols and amines by the process of reductive amination. In this synthesis, tert-butyl azetidinium chloride is used as a catalyst in the reaction with sodium hydroxide. The tert-butyl group can be removed using ammonium hydroxide in the presence of a base such as triethylamine. This reaction can be performed on a large scale, making it useful in the manufacture of pharmaceuticals. The efficiency and solubility of this process make it suitable for use as an introduction to other processes involving N-protected amino alcohols or amines., Recommanded Product: tert-Butyl 3-hydroxyazetidine-1-carboxylate

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In general, the hydroxyl group makes alcohols polar. 72824-04-5, formula is C9H17BO2, Because of hydrogen bonding, alcohols tend to have higher boiling points than comparable hydrocarbons and ethers. Synthetic Route of 72824-04-5

Zhu, Meng-Zeng;Xie, Dong;Tian, Shi-Kai research published 《 Highly Regioselective Aromatic C-H Allylation of N-(Arylmethyl)sulfonimides with Allyl Grignard Reagents Involving Benzylic C-N Cleavage》, the research content is summarized as follows. A new pair of reaction partners has been established for the aromatic C-H functionalization of benzyl electrophiles with nucleophiles via palladium-catalyzed benzylic C-N cleavage. A range of N-(1-naphthylmethyl)sulfonimides, N-(2-thienylmethyl)sulfonimides, and N-(2-furanylmethyl)sulfonimides smoothly underwent palladium-catalyzed aromatic C-H allylation with allyl Grignard reagents at room temperature, delivering structurally diverse substituted 1-allylnaphthalenes and 2-allylheteroarenes in moderate to excellent yields with extremely high regioselectivities. Replacing the N-(arylmethyl)sulfonimide with an (arylmethyl)ammonium salt, an arylmethyl chloride, or an arylmethyl phosphate as the benzyl electrophile leads to a dramatic erosion of the regioselectivity.

72824-04-5, Allylboronic acid pinacol ester is a useful research compound. Its molecular formula is C9H17BO2 and its molecular weight is 168.04 g/mol. The purity is usually 95%.
Allylboronic acid pinacol ester is an allylation reagent that is used to produce aldehydes from ketones. It reacts with water, yielding the desired product and formaldehyde as a byproduct. The reaction proceeds through a sequence of steps, in which the boronate ester first reacts with water to form an allylboronate ion and hydrogen gas. This intermediate then reacts with potassium t-butoxide to produce the desired allyl alcohol and potassium borohydride. Finally, the palladium complex catalyst reduces the carbonyl group of the starting material, converting it into an aldehyde. Allylboronic acid pinacol ester is commercially available as a white solid, but can also be synthesized from 2-chloro-5-pinacolylborane (pinacol) in high yield using catalytic cross coupling reactions., Synthetic Route of 72824-04-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

With respect to acute toxicity, simple alcohols have low acute toxicities. Doses of several milliliters are tolerated. 72824-04-5, formula is C9H17BO2, For pentanols, hexanols, octanols and longer alcohols, LD50 range from 2–5 g/kg (rats, oral). Ethanol is less acutely toxic.All alcohols are mild skin irritants. Name: 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Zwillinger, Marton;Reddy, Post Sai;Wicher, Barbara;Mandal, Pradeep K.;Csekei, Marton;Fischer, Lucile;Kotschy, Andras;Huc, Ivan research published 《 Aromatic Foldamer Helices as α-Helix Extended Surface Mimetics》, the research content is summarized as follows. Helically folded aromatic oligoamide foldamers have a size and geometrical parameters very distinct from those of α-helixes and are not obvious candidates for α-helix mimicry. Nevertheless, they offer multiple sites for attaching side chains. It was found that some arrays of side chains at the surface of an aromatic helix make it possible to mimic extended α-helical surfaces. Synthetic methods were developed to produce quinoline monomers suitably functionalized for solid phase synthesis. A dodecamer was prepared Its crystal structure validated the initial design and showed helix bundling involving the α-helix-like interface. These results open up new uses of aromatic helixes to recognize protein surfaces and to program helix bundling in water.

Name: 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, Allylboronic acid pinacol ester is a useful research compound. Its molecular formula is C9H17BO2 and its molecular weight is 168.04 g/mol. The purity is usually 95%.
Allylboronic acid pinacol ester is an allylation reagent that is used to produce aldehydes from ketones. It reacts with water, yielding the desired product and formaldehyde as a byproduct. The reaction proceeds through a sequence of steps, in which the boronate ester first reacts with water to form an allylboronate ion and hydrogen gas. This intermediate then reacts with potassium t-butoxide to produce the desired allyl alcohol and potassium borohydride. Finally, the palladium complex catalyst reduces the carbonyl group of the starting material, converting it into an aldehyde. Allylboronic acid pinacol ester is commercially available as a white solid, but can also be synthesized from 2-chloro-5-pinacolylborane (pinacol) in high yield using catalytic cross coupling reactions., 72824-04-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Some low molecular weight alcohols of industrial importance are produced by the addition of water to alkenes. 72824-04-5, formula is C9H17BO2, Ethanol, isopropanol, 2-butanol, and tert-butanol are produced by this general method. Two implementations are employed, the direct and indirect methods. Related Products of 72824-04-5

Zhang, Wen;Lu, Lingxiang;Zhang, Wendy;Wang, Yi;Ware, Skyler D.;Mondragon, Jose;Rein, Jonas;Strotman, Neil;Lehnherr, Dan;See, Kimberly A.;Lin, Song research published 《 Electrochemically driven cross-electrophile coupling of alkyl halides》, the research content is summarized as follows. Here, electrochem. were used to achieve the differential activation of alkyl halides e.g., 2-(2-bromopropan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (I) by exploiting their disparate electronic and steric properties. Specifically, the selective cathodic reduction of a more substituted alkyl halide (I) gives rise to a carbanion, which undergoes preferential coupling with a less substituted alkyl halide via bimol. nucleophilic substitution to forge a new carbon-carbon bond. This protocol enables efficient cross-electrophile coupling of a variety of functionalized and unactivated alkyl electrophiles in the absence of a transition metal catalyst, and shows improved chemoselectivity compared with existing methods.

72824-04-5, Allylboronic acid pinacol ester is a useful research compound. Its molecular formula is C9H17BO2 and its molecular weight is 168.04 g/mol. The purity is usually 95%.
Allylboronic acid pinacol ester is an allylation reagent that is used to produce aldehydes from ketones. It reacts with water, yielding the desired product and formaldehyde as a byproduct. The reaction proceeds through a sequence of steps, in which the boronate ester first reacts with water to form an allylboronate ion and hydrogen gas. This intermediate then reacts with potassium t-butoxide to produce the desired allyl alcohol and potassium borohydride. Finally, the palladium complex catalyst reduces the carbonyl group of the starting material, converting it into an aldehyde. Allylboronic acid pinacol ester is commercially available as a white solid, but can also be synthesized from 2-chloro-5-pinacolylborane (pinacol) in high yield using catalytic cross coupling reactions., Related Products of 72824-04-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Safety of tert-Butyl 3-hydroxyazetidine-1-carboxylate, In chemistry, an alcohol is a type of organic compound that carries at least one hydroxyl functional group (−OH) bound to a saturated carbon atom. 141699-55-0, name is tert-Butyl 3-hydroxyazetidine-1-carboxylate, An important class of alcohols, of which methanol and ethanol are the simplest examples, includes all compounds which conform to the general formula CnH2n+1OH.

Zhang, Xuejun;Sheng, Xijun;Shen, Jie;Zhang, Shoubo;Sun, Wenjie;Shen, Chunli;Li, Yi;Wang, Jun;Lv, Huqiang;Cui, Minghui;Zhu, Yuchuan;Huang, Lei;Hao, Dongling;Qi, Zhibo;Sun, Guanglong;Mao, Weifeng;Pan, Yan;Shen, Liang;Li, Xin;Hu, Guoping;Gong, Zhen;Han, Shuhua;Li, Jian;Chen, Shuhui;Tu, Ronghua;Wang, Xuehai;Wu, Chengde research published 《 Discovery and Evaluation of Pyrazolo[3,4-d]pyridazinone as a Potent and Orally Active Irreversible BTK Inhibitor》, the research content is summarized as follows. The identification and lead optimization of a series of pyrazolo[3,4-d]pyridazinone derivatives are described as a novel class of potent irreversible BTK inhibitors, resulting in the discovery of compound 8. Compound 8 exhibited high potency against BTK kinase and acceptable PK profile. Furthermore, compound 8 demonstrated significant in vivo efficacy in a mouse-collagen-induced arthritis (CIA) model.

Safety of tert-Butyl 3-hydroxyazetidine-1-carboxylate, Tert-butyl 3-hydroxyazetidine-1-carboxylate is a useful research compound. Its molecular formula is C8H15NO3 and its molecular weight is 173.21 g/mol. The purity is usually 95%.

Tert-butyl 3-hydroxyazetidine-1-carboxylate has been shown to be a good substrate for the preparation of N-protected amino alcohols and amines by the process of reductive amination. In this synthesis, tert-butyl azetidinium chloride is used as a catalyst in the reaction with sodium hydroxide. The tert-butyl group can be removed using ammonium hydroxide in the presence of a base such as triethylamine. This reaction can be performed on a large scale, making it useful in the manufacture of pharmaceuticals. The efficiency and solubility of this process make it suitable for use as an introduction to other processes involving N-protected amino alcohols or amines., 141699-55-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Some low molecular weight alcohols of industrial importance are produced by the addition of water to alkenes. 72824-04-5, formula is C9H17BO2, Ethanol, isopropanol, 2-butanol, and tert-butanol are produced by this general method. Two implementations are employed, the direct and indirect methods. Name: 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Zhang, Yao;Ma, Jiawei;Chen, Jian;Meng, Lingpu;Liang, Yong;Zhu, Shaolin research published 《 A relay catalysis strategy for enantioselective nickel-catalyzed migratory hydroarylation forming chiral α-aryl alkylboronates》, the research content is summarized as follows. Ligand-controlled reactivity plays an important role in transition-metal catalysis, enabling a vast number of efficient transformations to be discovered and developed. However, a single ligand is generally used to promote all steps of the catalytic cycle (e.g., oxidative addition, reductive elimination), a requirement that makes ligand design challenging and limits its generality, especially in relay asym. transformations. Herein it is hypothesized that multiple ligands with a metal center might be used to sequentially promote multiple catalytic steps, thereby combining complementary catalytic reactivities through a simple combination of simple ligands. With this relay catalysis strategy (L/L*), the first highly regio- and enantioselective remote hydroarylation process is reported. By synergistic combination of a known chain-walking ligand and a simple asym. cross-coupling ligand with the nickel catalyst, enantioenriched α-aryl alkylboronates could be rapidly obtained as versatile synthetic intermediates through this formal asym. remote C(sp³)-H arylation process.

Name: 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, Allylboronic acid pinacol ester is a useful research compound. Its molecular formula is C9H17BO2 and its molecular weight is 168.04 g/mol. The purity is usually 95%.
Allylboronic acid pinacol ester is an allylation reagent that is used to produce aldehydes from ketones. It reacts with water, yielding the desired product and formaldehyde as a byproduct. The reaction proceeds through a sequence of steps, in which the boronate ester first reacts with water to form an allylboronate ion and hydrogen gas. This intermediate then reacts with potassium t-butoxide to produce the desired allyl alcohol and potassium borohydride. Finally, the palladium complex catalyst reduces the carbonyl group of the starting material, converting it into an aldehyde. Allylboronic acid pinacol ester is commercially available as a white solid, but can also be synthesized from 2-chloro-5-pinacolylborane (pinacol) in high yield using catalytic cross coupling reactions., 72824-04-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts