Category: alcohols-buliding-blocks

Svec, Pavel published the artcileIodinated Choline Transport-Targeted Tracers, Recommanded Product: 2-Morpholinoethanol, the publication is Journal of Medicinal Chemistry (2020), 63(24), 15960-15978, database is CAplus and MEDLINE.

We present a novel series of radioiodinated tracers and potential theranostics for diseases accompanied by pathol. function of proteins involved in choline transport. Unlike choline analogs labeled with ¹¹C or ¹⁸F that are currently used in the clinic, the iodinated compounds described herein are applicable in positron emission tomog., single-photon emission computed tomog., and potentially in therapy, depending on the iodine isotope selection. Moreover, favorable half-lives of iodine isotopes result in much less challenging synthesis by isotope exchange reaction. Six of the described compounds were nanomolar ligands, and the best compound possessed an affinity 100-fold greater than that of choline. Biodistribution data of ¹²⁵I-labeled ligands in human prostate carcinoma bearing (PC-3) mice revealed two compounds with a biodistribution profile superior to that of [¹⁸F]fluorocholine.

Journal of Medicinal Chemistry published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C9H21NO3, Recommanded Product: 2-Morpholinoethanol.

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

Lambi, John N. published the artcileSynthesis, spectral properties and thermal behaviour of zinc(II) acetylsalicylate, Recommanded Product: 9-Phenyl-9H-xanthen-9-ol, the publication is Thermochimica Acta (2003), 398(1-2), 145-151, database is CAplus.

The thermal behavior of Zn(II) acetylsalicylate [Zn(acsa)₂(H₂O)₂] with respect to phase transitions, pyrolysis both in air and inert (N₂) atm., and product identification was studied. The complex was synthesized by metathesis in hot EtOH solution using aspirin (acetylsalicylic acid) as precursor and characterized via electronic and IR spectral analyses. Optical observations showed that the white salt does not undergo a direct transition from the solid to the liquid phase but rather goes slowly through an intermediate mesophase around 80° before melting rapidly to the brick-brown isotropic liquid around 134-136°. No liquid crystalline phases are however formed. This result was complemented by that from thermogravimetric (TG) studies in the ∼25-600° range, which showed three main weight-loss phases of 8.0, 50.0 and 14.0% (around 200, 250 and 400°) corresponding, resp., to the elimination of CO₂, xanthone and HOAc. The pyrolysis products, as identified using a combination of instrumental (GC-MS) and wet chem. techniques are: CO₂; nonstoichiometric Zn oxide, most likely in the form: Zn_1+xO (0.0000 ≤ x ≤ 0.0003); and a mixture of organic products resulting from further decomposition, charring and other attendant thermal effects at the relatively high temperatures (∼600°) involved. Six of the principal organic products were identified and included salsalate and benorylate which are pro-drugs of salicylic acid, a known pharmaceutical.

Thermochimica Acta published new progress about 596-38-3. 596-38-3 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Benzene,Alcohol, name is 9-Phenyl-9H-xanthen-9-ol, and the molecular formula is C19H14O2, Recommanded Product: 9-Phenyl-9H-xanthen-9-ol.

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

Hill, E. Alexander published the artcileRing cleavage rearrangement of cyclobutylmethylboranes, Computed Properties of 20117-47-9, the publication is Journal of Organometallic Chemistry (1982), 239(2), 279-92, database is CAplus.

Boranes prepared by hydroborating methylenecyclobutane (I) with BH₃-THF, 9-borabicyclo[3.3.1]nonane, and BH₃-Me₂S rearranged on heating at 100-160° to open chain structures. Products after oxidation were the unrearranged cyclobutylmethanol, and 4-penten-1-ol (II), 1,4-pentanediol (III) and 1,5-pentanediol (IV). II was the major product when stoichiometric alkene:BH bonds was used; III and IV were formed with excess BH₃. The rate of rearrangement using BH₃-Me₂S at 100° in triglyme was not significantly dependent upon the initial I-BH₃ ratio (3/1 or 1.15/1) or the presence of excess Me₂S. However, an equivalent amount of pyridine prevented rearrangement. Rearrangement in THF using BH₃-THF also occurred at comparable rates in the presence and absence of excess BH₃. Little or no isomerization of the B function into the cyclobutane ring was observed A concerted 4-center mechanism requiring a vacant B orbital was suggested.

Journal of Organometallic Chemistry published new progress about 20117-47-9. 20117-47-9 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic cyclic hydrocarbon,Alcohol, name is 1-Methylcyclobutan-1-ol, and the molecular formula is C5H10O, Computed Properties of 20117-47-9.

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

Yamauchi, Takafumi published the artcileMachine learning approaches to predict gestational age in normal and complicated pregnancies via urinary metabolomics analysis, Application of 3-Hydroxyphenylacetic acid, the publication is Scientific Reports (2021), 11(1), 17777, database is CAplus and MEDLINE.

The elucidation of dynamic metabolomic changes during gestation is particularly important for the development of methods to evaluate pregnancy status or achieve earlier detection of pregnancy-related complications. Some studies have constructed models to evaluate pregnancy status and predict gestational age using omics data from blood biospecimens; however, less invasive methods are desired. Here we propose a model to predict gestational age, using urinary metabolite information. In our prospective cohort study, we collected 2741 urine samples from 187 healthy pregnant women, 23 patients with hypertensive disorders of pregnancy, and 14 patients with spontaneous preterm birth. Using gas chromatog.-tandem mass spectrometry, we identified 184 urinary metabolites that showed dynamic systematic changes in healthy pregnant women according to gestational age. A model to predict gestational age during normal pregnancy progression was constructed; the correlation coefficient between actual and predicted weeks of gestation was 0.86. The predicted gestational ages of cases with hypertensive disorders of pregnancy exhibited significant progression, compared with actual gestational ages. This is the first study to predict gestational age in normal and complicated pregnancies by using urinary metabolite information. Minimally invasive urinary metabolomics might facilitate changes in the prediction of gestational age in various clin. settings.

Scientific Reports published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is C10H10O6, Application of 3-Hydroxyphenylacetic acid.

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

Sun, Yang published the artcileTheoretical study on the mechanisms of the decomposition of nitrate esters and the stabilization of aromatic amines, Related Products of alcohols-buliding-blocks, the publication is Journal of Molecular Modeling (2019), 25(12), 346, database is CAplus and MEDLINE.

The nitrate esters are important components of double-base propellants. Aromatic amines are recommended as the stabilizers to delay the decomposition of nitrate esters and increase their storage time. The decomposition mechanisms of alkyl, alkoxy dinitrate, and poly-fluoride nitrate esters and the stabilizing effect of aromatic amines including new designed phenols are studied at the level of B3LYP/6-31G**. Alkyl and alkoxyl dinitrate esters are likely to be transformed by hydrogen abstraction, which is consistent with that of mononitrate and trinitrate esters. However, for poly-fluoride nitrate esters, NO₂ catalyzed self-decomposition is preferred. In addition, comparing with mononitrate and trinitrate esters, the order of their stability is mononitrates > dinitrates > trinitrates. Poly-fluoride nitrate esters have a poorer stability than non-fluorinated nitrate esters. Comparing with parent nitrate esters, the stability of new designed poly-fluoride oxygen-containing nitrate esters is slightly improved. Aromatic amines including new designed phenols are effective stabilizers of nitrate esters, especially when introduced hydroxyl in the para position, can enhance the effects of stabilizers. The rate constants for the decomposition of nitrate esters and the bimol. reaction between stabilizers and NO₂ are calculated by using traditional transition state theory.

Journal of Molecular Modeling published new progress about 14703-69-6. 14703-69-6 belongs to alcohols-buliding-blocks, auxiliary class Amine,Benzene,Phenol, name is 3-(Methylamino)phenol, and the molecular formula is C24H20Ge, Related Products of alcohols-buliding-blocks.

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

Pourafshar, Shirin published the artcileUrine and plasma metabolome of healthy adults consuming the DASH (dietary approaches to stop hypertension) diet: a randomized pilot feeding study, HPLC of Formula: 621-37-4, the publication is Nutrients (2021), 13(6), 1768, database is CAplus and MEDLINE.

We aimed to identify plasma and urine metabolites altered by the Dietary Approaches to Stop Hypertension (DASH) diet in a post-hoc anal. of a pilot feeding trial. Twenty adult participants with un-medicated hypertension consumed a Control diet for one week followed by 2 wk of random assignment to either Control or DASH diet. Non-missing fasting plasma (n = 56) and 24-h urine (n = 40) were used to profile metabolites using untargeted gas chromatog./mass spectrometry. Linear models were used to compare metabolite levels between the groups. In urine, 19 identifiable untargeted metabolites differed between groups at p < 0.05. These included a variety of phenolic acids and their microbial metabolites that were higher during the DASH diet, with many at false discovery rate (FDR) adjusted p < 0.2. In plasma, eight identifiable untargeted metabolites were different at p < 0.05, but only gamma-tocopherol was significantly lower on DASH at FDR adjusted p < 0.2. The results provide insights into the mechanisms of benefit of the DASH diet.

Nutrients published new progress about 621-37-4. 621-37-4 belongs to alcohols-buliding-blocks, auxiliary class Carboxylic acid,Benzene,Phenol,Natural product, name is 3-Hydroxyphenylacetic acid, and the molecular formula is C8H8O3, HPLC of Formula: 621-37-4.

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

Halloran, Matthew W. published the artcileSmall molecule plasticizers for improved migration resistance: Investigation of branching and leaching behaviour in PVC blends, Synthetic Route of 111-29-5, the publication is Materials Today Communications (2021), 102874, database is CAplus.

The influence of branching on plasticizer effectiveness and migration behavior of heptyl-succinate plasticizers blended with poly(vinyl chloride) (PVC) was evaluated. An increase of branching led to a decrease in migration of the plasticizers into both hexanes and vegetable oil medias. Addnl., a quant. ¹H NMR method was used to identify plasticizer concentration in the leachates and compared to a gravimetric standard test method. Overall, the quant. ¹H NMR method proved to be a more direct method to assess leaching. In comparison to com. plasticizer di(2-ethylhexyl) phthalate (DEHP) and alternative plasticizer diheptyl succinate (DHPS), all of the branched species displayed superior migration resistance into hexanes (two to ten-fold). The glass transition temperatures and stress at break data indicated that the plasticizers comprised of up to three branches functioned as well as, or better than DEHP and DHPS. However, there was a decrease in plasticizer efficiency with compounds comprised of four or more branches.

Materials Today Communications published new progress about 111-29-5. 111-29-5 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ploymers, name is Pentane-1,5-diol, and the molecular formula is C5H12O2, Synthetic Route of 111-29-5.

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

Ren, Shen published the artcileDesign, synthesis and evaluation of 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid derivatives as neuroimmunophilin ligands, Quality Control of 101-98-4, the publication is Zhongguo Yaowu Huaxue Zazhi (2007), 17(1), 1-7, 12, database is CAplus.

A method for the synthesis of the title compounds is reported here. Both, the sequence and conformation of the FK506-binding site in FKBPs (FK506 binding proteins) family are highly conserved. According to this characteristic of FKBPs and the structural feature of ligands binding to FKBP12, CADD (computer-aided drug design) was employed to design and virtually screen novel 2,2-dimethyl-1,3-dioxolane-4,5-5-dicarboxylic acid derivatives These compounds were synthesized by a liquid-phase synthetic method. A model of chick embryos dorsal root ganglion (DRG) cultures free of serum and a model of NG108-15 cell injured by H₂O₂ were applied to evaluate neurotropic activity of these target compounds Thus, 27 target compounds were synthesized. In cultured chick DRGs, N-[[(4R,5R)-5-[[(cyclohexyl)amino]carbonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]carbonyl]-L-aspartic acid di-Et ester produced a little neurotrophic effect and promoted neurite outgrowth in vitro. In the model of H₂O₂-induced NG108 cell damage, N-[[(4R,5R)-2,2-dimethyl-5-[[(phenylmethyl)amino]carbonyl]-1,3-dioxolan-4-yl]carbonyl]-L-serine Et ester showed a significantly protective effect on an NG 108 cell.

Zhongguo Yaowu Huaxue Zazhi 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, Quality Control of 101-98-4.

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

Chateauneuf, John E. published the artcileAn investigation of Friedel-Crafts alkylation reactions in super- and subcritical CO₂ and under solventless reaction conditions, Application of 9-Phenyl-9H-xanthen-9-ol, the publication is ACS Symposium Series (2002), 136-150, database is CAplus.

A symposium report. The Friedel-Crafts alkylation reaction of triphenylmethanol with methoxybenzene in supercritical and subcritical carbon dioxide, and under solventless reaction conditions was investigated. The reaction was initiated using trifluoroacetic acid to produce triphenylmethlycarbocation as the reaction intermediate. Isolated product yields of the Friedel-Crafts product, p-methoxytetraphenylmethane, are reported. The possibility of using the above reaction as an alternative synthesis in an undergraduate organic laboratory to teach some of the tenets of green chem. was also investigated. Addnl., the use of benzhydrol, 9-hydroxyxanthene and 9-phenylxanthen-9-ol as potential carbocation sources for supercritical carbon dioxide synthesis was studied and preliminary results are reported.

ACS Symposium Series published new progress about 596-38-3. 596-38-3 belongs to alcohols-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Benzene,Alcohol, name is 9-Phenyl-9H-xanthen-9-ol, and the molecular formula is C19H14O2, Application of 9-Phenyl-9H-xanthen-9-ol.

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

Tan, Hongbo published the artcileEffect of organic alkali on compressive strength and hydration of wet-grinded granulated blast-furnace slag containing Portland cement, HPLC of Formula: 122-20-3, the publication is Construction and Building Materials (2019), 10-18, database is CAplus.

In this study, a com. available ground granulated blast-furnace slag (GGBS) was further processed by wet grinding, and WGGBS (wet-grinded GGBS) slurry with superfine particles was obtained. To avoid self-hydration of slag and augment the grinding efficiency, one com. available polycarboxylate superplasticizer was added. The binder, composed of 10.0% cement and 90.0% WGGBS with the addition of 0.05% triethanolamine (TEA) and 0.05% triisopropanolamine (TIPA), was designed; the cement was added to provide alkali environment and calcium ions, and organic alkali was used to promote the dissolution of GGBS. The compressive strength of mortar and hydration mechanism was investigated. The results showed that wet grinding exhibited high grinding efficiency; D(50) value of particle size distribution of WGGBS was reduced from 18μm to 2.10μm by wet grinding for one hour. Compressive strength of hardened WGGBS mortar was 20 MPa and 28 MPa at 7 d and 28 d, and 10% cement replacement ratio of the WGGBS increased the strength to 24.6 MP at 7 d and 32.2 MPa at 28 d. Furthermore, in C-WGGBS, 0.05% TEA increased the 7 d strength by 23%, with the value of 30.27 MPa, but 0.05%TIPA slightly reduced it to 23.5 MPa, with a decrease by 5%. Mechanism behind the increase was due to the accelerated formation of hydrotalcite-like phase, despite the retarding effect on formation of C-(A)S-H gel; the slight decline by TIPA was mainly because of the retarding effect of formation of C-(A)S-H gel as well as its air-entraining effect. Moreover, both TEA and TIPA increased the 28 d strength of cement-WGGBS system, because TEA and TIPA were able to facilitate ferric and aluminum dissolution and expedite the formation of C-(A)S-H gel as well as hydrotalcite-like phase. Addnl., it was worth noting that 0.05% TEA could make 28 d strength of the binder, composed of only 10% cement, reach 43.7 MPa, in accordance with the requirement of 42.5 grade cement.

Construction and Building Materials published new progress about 122-20-3. 122-20-3 belongs to alcohols-buliding-blocks, auxiliary class Organic Pigment, name is Triisopropanolamine, and the molecular formula is C25H23NO4, HPLC of Formula: 122-20-3.

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