2-benzyl-1-chloro-4-methylbenzene | 102146-35-0

• 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-benzyl-1-chloro-4-methylbenzene
• 英文别名: 3-benzyl-4-chloro-1-methylbenzene
• CAS: 102146-35-0
• 化学式: C₁₄H₁₃Cl
• 分子量: 216.71
• InChiKey: GFCSYVAWZRQGEX-UHFFFAOYSA-N

物化性质

• 沸点：
  308.7±11.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  硫氰酸苄酯 、 对氯甲苯 在 ferric(III) bromide 作用下， 反应 24.0h， 生成 2-benzyl-1-chloro-4-methylbenzene 、 2-benzyl-4-chloro-1-methylbenzene
  参考文献：
  名称：

  Iron-Catalyzed Benzylation Reaction of Arenes with Benzyl Thiocyanates

  摘要：

  通过使用铁催化的烷与硫氰酸苄酯的弗里德尔-卡夫斯反应，开发出了一种新颖的、具有区域选择性的二苯基甲烷衍生物合成方案。在 FeBr3 的存在下，各种苄基硫氰酸盐与炔烃发生反应，以中等至高产率选择性地得到相应的二芳基甲烷衍生物。

  DOI：

  10.1055/s-0031-1290343

文献信息

• Tin exchanged heteropoly tungstate: An efficient catalyst for benzylation of arenes with benzyl alcohol
  作者：Ch. Ramesh Kumar、K.T. Venkateswara Rao、P.S. Sai Prasad、N. Lingaiah

  DOI：10.1016/j.molcata.2011.01.008

  日期：2011.3

  The partial exchange of tin with the protons of 12-tungstophosphoric acid (TPA) results in a highly active heterogeneous catalyst for benzylation of arenes with benzyl alcohol as benzylating agent. The catalysts were characterized by X-ray diffraction, Laser-Raman and FT-IR of pyridine adsorption. The catalytic activity depends significantly on the extent of tin exchanged with the protons of heteropoly tungstate. The characterization results suggest the presence of Lewis acidic sites by the exchange of tin. The catalyst with partial exchange of Sn showed high benzylation activity, which in turn related to variation in acidity of the catalysts. The catalyst is highly active for benzylation reaction irrespective of the nature of substituted arenes and benzyl alcohols. These catalysts are highly active compared to other acid catalysts used for benzylation of different arenes. The catalyst is easy to separate from reaction mixture and exhibit consistent activity upon reuse. The plausible reaction mechanism based on the role of both Lewis and Bronsted acid sites of the catalyst was discussed. (C) 2011 Elsevier B.V. All rights reserved.
• LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF
  申请人：MEDSHINE DISCOVERY INC.

  公开号：US20200345700A1

  公开（公告）日：2020-11-05

  A cyclopropylamine compound as a lysine-specific demethylase 1 (LSD1) inhibitor. Particularly, the present invention relates to a compound represented by formula (I) and a pharmaceutically acceptable salt thereof. The present invention also provides an application of the same in preparing a drug for treating an LSD1-related disease.
• Iron-Catalyzed Benzylation Reaction of Arenes with Benzyl Thiocyanates
  作者：Jin-Heng Li、Ri-Yuan Tang、Xiao-Kang Guo、Dong-Yun Zhao、Xing-Guo Zhang、Chen-Liang Deng

  DOI：10.1055/s-0031-1290343

  日期：2012.3

  A novel, regioselective protocol for the synthesis of diphenylmethane derivatives has been developed by using iron-­catalyzed Friedel-Crafts reaction of arenes with benzyl thiocyanates. In the presence of FeBr3, a variety of benzyl thiocyanates underwent the reaction with arenes to selectively afford the corresponding diarylmethane derivatives in moderate to high yields.

  通过使用铁催化的烷与硫氰酸苄酯的弗里德尔-卡夫斯反应，开发出了一种新颖的、具有区域选择性的二苯基甲烷衍生物合成方案。在 FeBr3 的存在下，各种苄基硫氰酸盐与炔烃发生反应，以中等至高产率选择性地得到相应的二芳基甲烷衍生物。