2-isobutyl-1-methyl-1,2,3,4-tetrahydroquinoline | 861581-71-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-isobutyl-1-methyl-1,2,3,4-tetrahydroquinoline
• 英文别名: 2-Isobutyl-1-methyl-1,2,3,4-tetrahydro-chinolin；1-methyl-2-(2-methylpropyl)-3,4-dihydro-2H-quinoline
• CAS: 861581-71-7
• 化学式: C₁₄H₂₁N
• 分子量: 203.327
• InChiKey: DOESPGKZOVDZAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-isobutyl-1-methyl-1,2,3,4-tetrahydroquinoline 、 碘甲烷 生成 2-isobutyl-1,1-dimethyl-1,2,3,4-tetrahydro-quinolinium; iodide
  参考文献：
  名称：

  Freund; Kessler, Journal fur praktische Chemie (Leipzig 1954), 1918, vol. <2> 98, p. 245,247

  摘要：

  DOI：
• 作为产物：
  描述：

  2-isobutyl-1-methyl-1,2-dihydro-quinoline 在 乙醇 、 sodium 作用下， 生成 2-isobutyl-1-methyl-1,2,3,4-tetrahydroquinoline
  参考文献：
  名称：

  Freund; Kessler, Journal fur praktische Chemie (Leipzig 1954), 1918, vol. <2> 98, p. 245,247

  摘要：

  DOI：

文献信息

• A General Method for N-Methylation of Amines and Nitro Compounds with Dimethylsulfoxide
  作者：Xue Jiang、Chao Wang、Yawen Wei、Dong Xue、Zhaotie Liu、Jianliang Xiao

  DOI：10.1002/chem.201303802

  日期：2014.1.3

  DMSO methylates a broad range of amines in the presence of formic acid, providing a novel, green and practical method for amine methylation. The protocol also allows the one‐pot transformation of aromatic nitro compounds into dimethylated amines in the presence of a simple iron catalyst.

  DMSO在甲酸存在下将多种胺甲基化，为胺甲基化提供了一种新颖，绿色且实用的方法。该协议还允许在简单的铁催化剂存在下将芳香族硝基化合物单锅转化为二甲基化胺。
• Meisenheimer; Stotz; Bauer, Chemische Berichte, 1925, vol. 58, p. 2324
  作者：Meisenheimer、Stotz、Bauer

  DOI：——

  日期：——
• BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER
  申请人：Capella Therapeutics, Inc.

  公开号：US20170183330A1

  公开（公告）日：2017-06-29

  Provided herein are benzimidazole derivatives, for example, of Formula I, and pharmaceutical compositions thereof. Also provided herein are methods of their use for treating, preventing, or ameliorating one or more symptoms of a proliferative disease.
• BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES
  申请人：Capella Therapeutics, Inc.

  公开号：US20200216419A1

  公开（公告）日：2020-07-09

  Provided herein are methods for treating, preventing, or ameliorating one or more symptoms of a condition, disorder, or disease mediated by a lipid kinase or a protein kinase with benzimidazoles, for example, of Formula I or II, and pharmaceutical compositions thereof. Also provided herein are benzimidazoles, and pharmaceutical compositions thereof; and methods of their use for treating, preventing, or ameliorating one or more symptoms of a proliferative disease.
• BENZIMIDAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：CAPELLA THERAPEUTICS, INC.

  公开号：US20200291007A1

  公开（公告）日：2020-09-17

  Provided herein are benzimidazole derivatives, for example, of Formula I, and pharmaceutical compositions thereof. Also provided herein are methods of their use for treating, preventing, or ameliorating one or more symptoms of a proliferative disease.