2-(3-chlorophenyl)-2-butanol | 58977-34-7

• 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-butanol
• 英文别名: 2-(3-chlorophenyl)butan-2-ol
• CAS: 58977-34-7
• 化学式: C₁₀H₁₃ClO
• 分子量: 184.666
• InChiKey: QECVDIBMWCTOAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 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-butanol 在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 生成 1-Chloro-3-(2-chlorobutan-2-yl)benzene
  参考文献：
  名称：

  Access to “Friedel–Crafts-Restricted” tert-Alkyl Aromatics by Activation/Methylation of Tertiary Benzylic Alcohols

  摘要：

  Herein we describe a two-step protocol to prepare m-tert-alkylbenzenes. The appropriate tertiary benzylic alcohols are activated with SOCl2 or concentrated HCl and then treated with trimethylaluminum, affording the desired products in 68-97% yields (22 examples). This reaction sequence is successful in the presence of a variety of functional groups, including acid-sensitive and Lewis-basic groups. In addition to t-Bu groups, 1,1-dimethylpropyl and 1-ethyl-1-methylpropyl groups can also be installed using this method.

  DOI：

  10.1021/jo202371c
• 作为产物：
  描述：

  1-Chloro-3-(2-chlorobutan-2-yl)benzene 以 水 、 丙酮 为溶剂， 生成 2-(3-chlorophenyl)-2-butanol
  参考文献：
  名称：

  苄基溶剂分解中共振稳定化的重要性。取代基对α，α-二异丙基苄基氯的溶剂分解的影响

  摘要：

  可以根据σ +值描述取代基对α，α-二异丙基苄基氯的溶剂分解的影响。通过将两个庞大的异丙基引入苄基反应中心，未观察到明显的空间共振损失。

  DOI：

  10.1016/s0040-4039(00)61418-1

文献信息

• Electrochemical alkyl transfer reactions of trialkylborane to carbonyl compounds by use of copper sacrificial anode
  作者：Jung Hoon Choi、Jong Sung Youm、Cheon-Gyu Cho、Myung-Zoon Czae、Book Kee Hwang、Jung Sung Kim

  DOI：10.1016/s0040-4039(98)00915-0

  日期：1998.7

  Alkyl groups in trialkylboranes were successfully transferred to carbonyl compounds in the presence of the platinum cathode and copper anode by electrochemical method. The new, mild electrochemical alkyl transfer reaction produced various substituted alcohols in good yields.

  在铂阴极和铜阳极的存在下，通过电化学方法将三烷基硼烷中的烷基成功转移到羰基化合物上。新的，温和的电化学烷基转移反应以高收率产生了各种取代的醇。
• HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：EP3517112A1

  公开（公告）日：2019-07-31

  Disclosed are chemical entities which are compounds of formula (I): or pharmaceutically acceptable salts thereof; wherein Y, Ra, Ra', Rb, Rc, X1, X2, X3, Rd, Z1, and Z2 have the values described herein and stereochemical configurations depicted at asterisked positions indicate absolute stereochemistry. Chemical entities according to the disclosure can be useful as inhibitors of Sumo Activating Enzyme (SAE). Further provided are pharmaceutical compositions comprising a compound of the disclosure and methods of using the compositions in the treatment of proliferative, inflammatory, cardiovascular, and neurodegenerative diseases or disorders.

  所公开的化学实体为式（I）化合物： 或其药学上可接受的盐；其中 Y、Ra、Ra'、Rb、Rc、X1、X2、X3、Rd、Z1 和 Z2 具有本文所述的值，星号位置上描述的立体化学构型表示绝对立体化学。根据本公开的化学实体可用作苏木活化酶（SAE）的抑制剂。进一步提供了包含本公开化合物的药物组合物，以及使用该组合物治疗增殖性、炎症性、心血管和神经退行性疾病或紊乱的方法。
• Reactions of Et₃ZnLi with Ketones:  Electronic and Steric Effects¹
  作者：Curtis A. Musser、Herman G. Richey

  DOI：10.1021/jo000630j

  日期：2000.11.1

  Toluene solutions of composition Et3ZnLi react rapidly with aldehydes and ketones to form addition products. Et3ZnNa and Et3ZnK solutions react readily with the same substrates although metalation, as well as addition, is significant with substrates having alpha -hydrogens. The Et3ZnM solutions react with 2-cyclohexenone to give mainly the 1,4-addition product. Relative rates of addition of Et3ZnLi to substituted acetophenones give a Hammett rho of 2.78. Addition of Et3ZnLi to acetophenone is sf owed significantly by alpha and ortho methyl substituents; relative rates of addition to acetophenone, o-methylacetophenone, and tert-butyl phenyl ketone are 1.00, 0.012, and 0.003.
• Migration aptitudes in the photolysis of some tertiary alkyl azides
  作者：Frederick C. Montgomery、William H. Saunders

  DOI：10.1021/jo00876a003

  日期：1976.7
• US9962386B2
  申请人：——

  公开号：US9962386B2

  公开（公告）日：2018-05-08