2-(3-chlorophenyl)-2-methylpropan-1-ol | 93748-31-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3-chlorophenyl)-2-methylpropan-1-ol
• CAS: 93748-31-3
• 化学式: C₁₀H₁₃ClO
• 分子量: 184.666
• InChiKey: MAPZIQZDTJLXRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(3-chlorophenyl)-2-methylpropan-1-ol 在 potassium acetate 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以642 mg的产率得到2-(3-chlorophenyl)-2-methylpropanal
  参考文献：
  名称：

  布朗斯台德酸催化β-苄基苯乙烯的分子内氢化

  摘要：

  使用四（五氟苯基）硼酸三苯甲基铵作为方便的布朗斯台德酸预催化剂，β-（α，α-二甲基苄基）苯乙烯显示出有效的环化作用，从而提供了多种具有苄基季中心的新型茚满。提出了含双甲基的双季铵盐中心对于武装通过空间偏压环化的底物是必需的。

  DOI：

  10.1021/acs.orglett.7b00958
• 作为产物：
  描述：

  2-(3-氯苯基)-2-甲基丙酸 生成 2-(3-chlorophenyl)-2-methylpropan-1-ol
  参考文献：
  名称：

  NAKATANI, KIYOSHI;NUMATA, SATOSHI;INOUE, TSUNEO;KODAKA, KENJI;ISHII, TSUT+

  摘要：

  DOI：

文献信息

• [EN] INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION<br/>[FR] INHIBITEURS DE LA RÉPLICATION DE NOROVIRUS ET DE CORONAVIRUS
  申请人：COCRYSTAL PHARMA INC

  公开号：WO2021206876A1

  公开（公告）日：2021-10-14

  Compounds of Formula (I) and methods of inhibiting the replication of viruses in a biological sample or patient, of reducing the amount of viruses in a biological sample or patient, and of treating a virus infection in a patient, comprising administering to said biological sample or patient an effective amount of a compound represented by Formula (I), a compound of Table A or B or a pharmaceutically acceptable salt thereof.

  公式（I）化合物及抑制生物样本或患者中病毒复制、减少生物样本或患者中病毒数量、以及治疗患者病毒感染的方法，包括向所述生物样本或患者投与由公式（I）表示的化合物、表A或B中的化合物或其药用可接受盐的有效量。
• [EN] BROAD SPECTRUM ANTIVIRALS AGAINST CORONAVIRUS<br/>[FR] ANTIVIRAUX À LARGE SPECTRE CONTRE LE CORONAVIRUS
  申请人：UNIV KANSAS STATE

  公开号：WO2021202460A1

  公开（公告）日：2021-10-07

  Compounds exhibiting antiviral activity and/or inhibition of viral replication against viruses, particularly those belonging to the picornavirus-like supercluster, including coronavirus having a formula: (I) where X comprises a cyclic moiety, R2 is a branched or unbranched alkyl, cycloalkyl, aryl, arylalkyl, alkenyl, alkynyl, amino acid side chain, bicyclic or tricyclic side chain, combinations, and substituted forms thereof, and Z is selected from the group consisting of C1-C6 hydroxyalkyl, aldehydes, alpha- ketoamides, and bisulfite salts, and in particular -CH2OH, -CHO, -CH(0H)S03 -Na+, and - [0(C=0)Rw]S03 -Na+.

  显示抗病毒活性和/或针对病毒复制的抑制作用的化合物，特别是属于类似小核糖病毒超簇的病毒，包括具有以下结构的冠状病毒：（I），其中X包括一个环状基团，R2是支链或非支链烷基，环烷基，芳基，芳基烷基，烯基，炔基，氨基酸侧链，双环或三环侧链，它们的组合和取代形式，Z选自羟基烷基，醛，α-酮胺和亚硫酸盐等物种组成的群体，特别是-CH2OH，-CHO，-CH(0H)S03-Na+，以及-[0(C=0)Rw]S03-Na+。
• Ether compounds, their production and an insecticidal and/or acaricidal composition containing the same
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0094085A1

  公开（公告）日：1983-11-16

  Ether compounds of the general formula, wherein W represents methine group or nitrogen atom, and (1) when W is the methine group, R1 represents hydrogen atom, fluorine atom, chlorine atom, bromine atom or methyl group, R2 represents hydrogen atom or fluorine atom, R3 and R4 are same or different and represent hydrogen atom, a halogen atom, a C1-4 alkyl, a C1-4 alkoxyl, difluoromethoxy or 2,2,2-trifluoroethoxy group, or represent, taken together, methylenedioxy group, A represents I oxygen atom, methylene group or imino group, and when the A represents oxygen atom or methylene group, X and Y represent, taken together, ethylene group or 1,1-difluoroethylene group and when the A represents imino group, both X and Y represent methyl group or represent, taken together, ethylene j group or 1,1-difluoroethylene group, and (2) when W is the nitrogen atom, both R1 and R2 represent hydrogen atom, R3 and R4 are as defined above, A represents oxygen atom, and both X and Y represent methyl group or represent, taken together, ethylene group or 1,1-difluoroethylene group. The ether compounds of the present invention are useful as an active ingredient of an insecticidal and/or acaricidal composition.

  通式如下的醚化合物 其中 W 代表甲基或氮原子，(1) 当 W 为甲基时、 R1 代表氢原子、氟原子、氯原子、溴原子或甲基，R2 代表氢原子或氟原子，R3 和 R4 相同或不同并代表氢原子、卤素原子、C1-4 烷基、C1-4 烷氧基、二氟甲氧基或 2,2,2-三氟乙氧基，或共同代表亚甲二氧基，A 代表 I 氧原子、亚甲基或亚氨基，当 A 代表氧原子或亚甲基时，X 和 Y 代表、(2) 当 W 为氮原子时，R1 和 R2 均代表氢原子，R3 和 R4 如上定义，A 代表氧原子，X 和 Y 均代表甲基或代表乙烯基或 1，1-二氟乙烯基。 本发明的醚化合物可用作杀虫和/或杀螨剂组合物的活性成分。
• Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease
  作者：Athri D. Rathnayake、Yunjeong Kim、Chamandi S. Dampalla、Harry Nhat Nguyen、Abdul-Rahman M. Jesri、Maithri M. Kashipathy、Gerald H. Lushington、Kevin P. Battaile、Scott Lovell、Kyeong-Ok Chang、William C. Groutas

  DOI：10.1021/acs.jmedchem.0c01252

  日期：2020.10.22

  Acute gastroenteritis caused by noroviruses has a major impact on public health worldwide in terms of morbidity, mortality, and economic burden. The disease impacts most severely immunocompromised patients, the elderly, and children. The current lack of approved vaccines and small-molecule therapeutics for the treatment and prophylaxis of norovirus infections underscores the need for the development of norovirus-specific drugs. The studies described herein entail the use of the gem-dimethyl moiety as a means of improving the pharmacological activity and physicochemical properties of a dipeptidyl series of transition state inhibitors of norovirus 3CL protease, an enzyme essential for viral replication. Several compounds were found to be potent inhibitors of the enzyme in biochemical and cell-based assays. The pharmacological activity and cellular permeability of the inhibitors were found to be sensitive to the location of the gem-dimethyl group.
• NAKATANI, KIYOSHI;NUMATA, SATOSHI;INOUE, TSUNEO;KODAKA, KENJI;ISHII, TSUT+
  作者：NAKATANI, KIYOSHI、NUMATA, SATOSHI、INOUE, TSUNEO、KODAKA, KENJI、ISHII, TSUT+

  DOI：——

  日期：——