4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-6-ylethynyl)-benzoic acid ethyl ester | 135631-84-4

• 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: 4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-6-ylethynyl)-benzoic acid ethyl ester
• 英文别名: ethyl 4-[2-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)ethynyl]benzoate
• CAS: 135631-84-4
• 化学式: C₂₂H₂₃NO₂
• 分子量: 333.43
• InChiKey: GECQLJDAAPGBAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-6-ylethynyl)-benzoic acid ethyl ester 在 sodium hydroxide 、 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以70%的产率得到4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-6-ylethynyl)-benzoic acid
  参考文献：
  名称：

  Synthesis and biological activity of 1,2,3,4-tetrahydroquinoline and 3,4-(1H)-dihydroquinolin-2-one analogs of retinoic acid

  摘要：

  Retinoids are natural and synthetic analogs of the hormone retinoic acid. Retinoids are currently being investigated clinically as drugs in several areas, including dermatology and oncology. We report the synthesis and biological activity of a new series of potent, RAR-specific retinoids substituted with a 1,2,3,4-tetrahydroquinoline or a 3,4-(1H)-dihydroquinolin-2-one group. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00435-6
• 作为产物：
  描述：

  6-溴-1,2,3,4-四氢-4,4-二甲基喹啉盐酸盐 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 为溶剂， 生成 4-(4,4-Dimethyl-1,2,3,4-tetrahydro-quinolin-6-ylethynyl)-benzoic acid ethyl ester
  参考文献：
  名称：

  Synthesis and biological activity of 1,2,3,4-tetrahydroquinoline and 3,4-(1H)-dihydroquinolin-2-one analogs of retinoic acid

  摘要：

  Retinoids are natural and synthetic analogs of the hormone retinoic acid. Retinoids are currently being investigated clinically as drugs in several areas, including dermatology and oncology. We report the synthesis and biological activity of a new series of potent, RAR-specific retinoids substituted with a 1,2,3,4-tetrahydroquinoline or a 3,4-(1H)-dihydroquinolin-2-one group. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00435-6

文献信息

• US5717094A
  申请人：——

  公开号：US5717094A

  公开（公告）日：1998-02-10