Tag: M.W=250-300

Fronk, Stephanie L. published the artcileChiroptical Properties of a Benzotriazole-Thiophene Copolymer Bearing Chiral Ethylhexyl Side Chains, Synthetic Route of 21286-54-4, the publication is Macromolecules (Washington, DC, United States) (2016), 49(24), 9301-9308, database is CAplus.

Conjugated polymers containing alternating thiophene units and benzotriazole structural units bearing either chiral (S)-2-ethylhexyl (PBTz-Th*) or racemic 2-ethylhexyl side chains (PBTz-Th) were synthesized. Characterization by optical absorption spectroscopy of both PBTz-Th* and its racemic counterpart reveal aggregated chains, even at dilute concentrations in good solvents. The presence of a chiral substituent permits characterization via CD (CD) spectroscopy. CD spectra provide evidence of chiral aggregates of PBTz-Th* chains even at 0.01 mg/mL in dichlorobenzene. When PBTz-Th* solutions are diluted with PBTz-Th, the resulting CD spectrum suggests that PBTz-Th* chains are chiral in the aggregate. Chiral ordering is also found to translate from aggregates in solution to the solid state.

Macromolecules (Washington, DC, United States) published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Synthetic Route of 21286-54-4.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Bryant, Laura A. published the artcileEnantioselective Organocatalytic Synthesis of Bicyclic Resorcinols via an Intramolecular Friedel-Crafts-Type 1,4-Addition: Access to Cannabidiol Analogues, Category: chlorides-buliding-blocks, the publication is Advanced Synthesis & Catalysis (2021), 363(16), 4067-4074, database is CAplus and MEDLINE.

A highly enantioselective, organocatalytic intramol. cyclization by a Friedel-Crafts-type 1,4-addition using a Joergensen-Hayashi-like organocatalyst with a large silyl protecting group and showed that heat improved the reaction yield with virtually no detriment to enantioselectivity. A variety of bicyclic resorcinols were obtained with excellent enantioselectivities (up to 94%). To show the utility of these constructs, and as part of a wider project involved the synthesis of cannabinoid-like compounds, the resorcinol formed was used to generate both ‘normal’ and ‘abnormal’ cannabidiol which had anticonvulsant activity.

Advanced Synthesis & Catalysis published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Laha, Joydev K. published the artcileDesign, Sustainable Synthesis, and Programmed Reactions of Templated N-Heteroaryl-Fused Vinyl Sultams, Recommanded Product: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, the publication is Journal of Organic Chemistry (2017), 82(18), 9350-9359, database is CAplus and MEDLINE.

A de novo design and synthesis of N-heteroaryl-fused vinyl sultams as templates for programming chem. reactions on vinyl sultam periphery or (hetero)aryl ring is described. The key features include rational designing and sustainable synthesis of the template, customized reactions of vinyl sultams at C=C bond or involving N-S bond cleavage, and reactions on the periphery of the heteroaryl ring for late-stage diversification. The simple, easy access to the template coupled with opportunities for the synthesis of diversely functionalized heterocyles from a single template constitutes a rare study in contemporary organic synthesis.

Journal of Organic Chemistry published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Recommanded Product: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Herranz, Eugenio published the artcileOsmium-catalyzed vicinal hydroxyamination of olefins by chloramine-T: cis-2-(p-toluenesulfonamido)cyclohexanol and 2-methyl-3-(p-toluenesulfonamido)-2-pentanol. [Benzenesulfonamide, N-(2-hydroxycyclohexyl)-4-methyl-, cis-], HPLC of Formula: 7080-50-4, the publication is Organic Syntheses (1983), 85-93, database is CAplus.

Addition of p-MeC₆H₄SO₂NClNa (I) to Me₂C:CHEt in the presence of OsO₄ gave Me₂C(OH)CH(NHSO₂C₆H₄Me-p)Et. Similarly, addition of I to cyclohexene gave 75-81.2% II.

Organic Syntheses published new progress about 7080-50-4. 7080-50-4 belongs to chlorides-buliding-blocks, auxiliary class Halogenation Reagent,Inhibitor, name is Sodium chloro(tosyl)amide trihydrate, and the molecular formula is C7H13ClNNaO5S, HPLC of Formula: 7080-50-4.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Sonoshita, Masahiro published the artcileA whole-animal platform to advance a clinical kinase inhibitor into new disease space, Quality Control of 32333-53-2, the publication is Nature Chemical Biology (2018), 14(3), 291-298, database is CAplus and MEDLINE.

Synthetic tailoring of approved drugs for new indications is often difficult, as the most appropriate targets may not be readily apparent, and therefore few roadmaps exist to guide chem. Here, we report a multidisciplinary approach for accessing novel target and chem. space starting from an FDA-approved kinase inhibitor. By combining chem. and genetic modifier screening with computational modeling, we identify distinct kinases that strongly enhance (‘pro-targets’) or limit (‘anti-targets’) whole-animal activity of the clin. kinase inhibitor sorafenib in a Drosophila medullary thyroid carcinoma (MTC) model. We demonstrate that RAF-the original intended sorafenib target-and MKNK kinases function as pharmacol. liabilities because of inhibitor-induced transactivation and neg. feedback, resp. Through progressive synthetic refinement, we report a new class of ‘tumor calibrated inhibitors’ with unique polypharmacol. and strongly improved therapeutic index in fly and human MTC xenograft models. This platform provides a rational approach to creating new high-efficacy and low-toxicity drugs.

Nature Chemical Biology published new progress about 32333-53-2. 32333-53-2 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Sulfonyl chlorides,Benzene, name is 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, and the molecular formula is C8H10S, Quality Control of 32333-53-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kodolov, V. I. published the artcilePossibilities for calculating stretching vibrational frequencies of the phosphorus=oxygen-group for some alkyl(aryl) phosphonates and aryl phosphates, Name: Diethyltrichloromethylphosphonate, the publication is Zhurnal Prikladnoi Spektroskopii (1967), 7(3), 382-6, database is CAplus.

Spectra of alkyl and aryl phosphates and of arylphosphates were measured in the liquid phase and in Nujol in the region 900-1900 cm.-1 The exptl. P:O group frequencies γPO were compared with values obtained by the calculation of γPO from Griffin (γPO = 1198 + 16.8 Σπ) and Thomas (γPO = 930 + 40 Σσ*) equations, where σ* = Taft constant and π = the electronegativity of the substituent. The comparison of exptl. and calculated γPO showed in phosphonates a better agreement if the Thomas equation were applied. The lower difference is explained by higher accuracy owing to π value application. The σ* is not precise because the interaction mass substituent is not taken into account. Tables give the charges, bond lengths and angles, electrostatic forces, and σk values for H, Me, CCl3, CHCl2, CH2Cl, Et, and Ph substituents. The differences between exptl. and calculated γPO were the same by the application of both equations in arylphosphates because only an insignificant effect of substituent polarity can occur in the neighborhood of the phosphate group.

Zhurnal Prikladnoi Spektroskopii published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Name: Diethyltrichloromethylphosphonate.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kodolov, V. I. published the artcileFrequency shift of the phosphorus:oxygen bond in organophosphorus compounds, Recommanded Product: Diethyltrichloromethylphosphonate, the publication is Trudy Instituta Khimii, Akademiya Nauk SSSR, Ural’skii Filial (1966), 99-101, database is CAplus.

Ir spectra were examined in the 1150-1350-cm.-1 region for (EtO)2PHO, MeP(O)(OEt)2, CH2:CHCH2P(O)(OEt)2, PhP(O)(OEt)2, CCl3P(O)(OEt)2, and PhPOCl2. The exptl. found values of vibrational frequencies of the P(O) bond agreed better with the values calculated by the L. C. Thomas equation (1964) than those calculated according to Griffin (1960).

Trudy Instituta Khimii, Akademiya Nauk SSSR, Ural’skii Filial published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Recommanded Product: Diethyltrichloromethylphosphonate.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Tsuchida, Kouhei published the artcileConstruction of Chiral Tri- and Tetra-Arylmethanes Bearing Quaternary Carbon Centers: Copper-Catalyzed Enantioselective Propargylation of Indoles with Propargylic Esters, Application In Synthesis of 21286-54-4, the publication is Angewandte Chemie, International Edition (2016), 55(33), 9728-9732, database is CAplus and MEDLINE.

Copper-catalyzed enantioselective propargylation of indoles with propargylic esters and sequential Huisgen cycloaddition with azides lead to the construction of chiral triarylmethanes, bearing a quaternary carbon center, with high to excellent enantioselectivities. The result described herein can be used in the enantioselective preparation of a tetraarylmethane.

Angewandte Chemie, International Edition published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C8H10O2, Application In Synthesis of 21286-54-4.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wambaugh, John F. published the artcileHigh-Throughput Models for Exposure-Based Chemical Prioritization in the ExpoCast Project, Computed Properties of 7080-50-4, the publication is Environmental Science & Technology (2013), 47(15), 8479-8488, database is CAplus and MEDLINE.

USEPA must characterize potential risks to human health and the environment associated with manufacture and use of thousands of chems. High-throughput screening (HTS) for biol. activity allows the ToxCast research program to prioritize chem. inventories for potential hazard. Similar capabilities to estimate exposure potential would support rapid, risk-based prioritization for chems. with limited information; this work proposes a framework for high-throughput exposure assessment. To demonstrate its application, an anal. was conducted to predict human exposure potential for chems. and estimate prediction uncertainty by comparison with biomonitoring data. In total, 1936 chems. were evaluated using far-field mass balance human exposure models (USEtox, RAIDAR) and an indicator for indoor and/or consumer use. These predictions were compared to exposures inferred by Bayesian anal. of urine concentrations for 82 chems. reported in the National Health and Nutrition Examination Survey (NHANES). Joint regression of all factors provided a calibrated consensus prediction, the variance of which served as an empirical determination of uncertainty to prioritize absolute exposure potential. Information on use was most predictive; generally, chems. above the limit of detection in NHANES had consumer/indoor use. Coupled with hazard HTS, exposure HTS can assign risk earlier in decision processes. High-priority chems. become targets for further data collection.

Environmental Science & Technology published new progress about 7080-50-4. 7080-50-4 belongs to chlorides-buliding-blocks, auxiliary class Halogenation Reagent,Inhibitor, name is Sodium chloro(tosyl)amide trihydrate, and the molecular formula is C5H10BNO2, Computed Properties of 7080-50-4.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Li, Qiang-Qiang published the artcileDirect Wittig Olefination of Alcohols, Recommanded Product: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, the publication is Journal of Organic Chemistry (2018), 83(1), 296-302, database is CAplus and MEDLINE.

Benzylic alcs. such as benzyl alc. underwent chemoselective and diastereoselective Wittig olefinations with alkyltriphenylphosphonium salts such as 2-pyridinylmethyltriphenylphosphonium chloride mediated by t-BuOK and air in THF to give aryl alkenes such as (E)-2-(2-phenylethenyl)pyridine in 8-93% yields and in ≥8:1 E:Z diastereoselectivities. Benzylic alcs. were thus directly transformed to olefins without pre-preparation of either aryl aldehydes or ylides. 1,2-Benzenedimethanol underwent chemoselective Wittig olefination to give mono- or dialkenylbenzenes; an unsym. dialkenylbenzene was also prepared The method was used to prepare the potential antitumor agent DMU-212, resveratrol, and nonracemic hexahelicenol enantiomers. The mechanism and kinetics of the olefination were studied.

Journal of Organic Chemistry published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Recommanded Product: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics