(E)-1-chloro-3-(3,3-dimethylbut-1-en-1-yl)benzene

• 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: (E)-1-chloro-3-(3,3-dimethylbut-1-en-1-yl)benzene
• 英文别名: 1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
• 化学式: C₁₂H₁₅Cl
• 分子量: 194.704
• InChiKey: NXDPLPJFCQQUEQ-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  (3S,4R)-3-tert-Butyl-4-(3-chloro-phenyl)-oxetan-2-one 以 various solvent(s) 为溶剂， 以100%的产率得到(E)-1-chloro-3-(3,3-dimethylbut-1-en-1-yl)benzene
  参考文献：
  名称：

  2-氧杂环丁烷的热脱羧的哈米特相关性，溶剂效应和立体化学-两性离子中间体的证据

  摘要：

  2-氧杂环丁烷酮（和）热脱羧的动力学和立体化学数据表明，该反应通过两性离子中间体Z进行。

  DOI：

  10.1016/s0040-4039(00)71463-8

文献信息

• Irradiation-Induced Heck Reaction of Unactivated Alkyl Halides at Room Temperature
  作者：Guang-Zu Wang、Rui Shang、Wan-Min Cheng、Yao Fu

  DOI：10.1021/jacs.7b10009

  日期：2017.12.20

  eliminable β-hydrogen atoms. Whereas most palladium-catalyzed cross-coupling reactions utilize the ground-state reactivity of palladium complexes under thermal conditions and generally apply a single ligand system, we report that the palladium-catalyzed Heck reaction proceeds smoothly at room temperature with a variety of tertiary, secondary, and primary alkyl bromides upon irradiation with blue light-emitting

  钯催化的Mizoroki-Heck反应可以说是最近50年来发现的最重要的碳-碳键构筑反应之一，在化学生产中具有大量应用。这种获得诺贝尔奖的转化尚未克服其在一系列烷基亲电子试剂中，特别是具有可消除的β-氢原子的叔烷基卤化物普遍应用的障碍。尽管大多数钯催化的交叉偶联反应都是在热条件下利用钯配合物的基态反应性，并且通常应用单一配体体系，但我们报道钯催化的Heck反应在室温下能顺利进行，具有多种叔，仲，在双膦配体系统的存在下，用蓝色发光二极管辐照后，生成伯烷基溴和伯烷基溴。我们合理地认为，这种前所未有的转变是通过利用钯配合物的光激发态反应性来增强氧化加成并抑制不希望的β-氢化物消除而实现的。
• Amino-aryl-benzamide compounds and methods of use thereof
  申请人：HEPANOVA, INC.

  公开号：US11000491B2

  公开（公告）日：2021-05-11

  A method for the treatment and/or reduction of nonalcoholic fatty liver disease (NAFLD) and nonalcoholic steatohepatitis (NASH) is disclosed. The method uses active amino-aryl-benzamide compounds and methods for the preparation thereof.

  本发明公开了一种治疗和/或减轻非酒精性脂肪肝（NAFLD）和非酒精性脂肪性肝炎（NASH）的方法。 该方法使用活性氨基芳基苯甲酰胺化合物及其制备方法。
• 6-11 Bicyclic Ketolide Derivatives
  申请人：Or Yat Sun

  公开号：US20070244160A1

  公开（公告）日：2007-10-18

  The present invention discloses compounds of formula I, or pharmaceutically acceptable salts, esters, or prodrugs thereof: which exhibit antibacterial properties. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject in need of antibiotic treatment. The invention also relates to methods of treating a bacterial infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The invention further includes process by which to make the compounds of the present invention.
• 6-11 BICYCLIC KETOLIDE DERIVATIVES
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US20140135485A1

  公开（公告）日：2014-05-15

  The present invention discloses compounds of formula I, or pharmaceutically acceptable salts, esters, or prodrugs thereof: which exhibit antibacterial properties. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject in need of antibiotic treatment. The invention also relates to methods of treating a bacterial infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The invention further includes process by which to make the compounds of the present invention.
• AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：HEPANOVA, INC.

  公开号：US20210338610A1

  公开（公告）日：2021-11-04

  A method for the treatment and/or reduction of nonalcoholic fatty liver disease (NAFLD) and nonalcoholic steatohepatitis (NASH) is disclosed. The method uses active amino-aryl-benzamide compounds and methods for the preparation thereof.