6-Oxo-7,8,9,10-tetrahydro-6H-cycloheptachinolin | 4514-02-7

• 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: 6-Oxo-7,8,9,10-tetrahydro-6H-cycloheptachinolin
• 英文别名: 3,4-Pentamethylen-carbostyril
• CAS: 4514-02-7
• 化学式: C₁₄H₁₅NO
• 分子量: 213.279
• InChiKey: DPARFFRSLNHQCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.21
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  33.12
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  6-Oxo-7,8,9,10-tetrahydro-6H-cycloheptachinolin 在 甲醇 、 magnesium 作用下， 生成 (6aS,11aR)-5,6a,7,8,9,10,11,11a-Octahydro-cyclohepta[c]quinolin-6-one
  参考文献：
  名称：

  Dihydroquinolines as Novel n-NOS Inhibitors

  摘要：

  Dihydroquinolines have been synthesized and have been shown to be potent n-NOS inhibitors. Selectivity versus e-NOS was increased to approximately 100-fold through appropriate substitution at the benzene ring. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00481-x
• 作为产物：
  描述：

  2-[2-(2,2-Dimethyl-propionylamino)-phenyl]-cyclohept-1-enecarboxylic acid methyl ester 在 盐酸 作用下， 生成 6-Oxo-7,8,9,10-tetrahydro-6H-cycloheptachinolin
  参考文献：
  名称：

  Dihydroquinolines as Novel n-NOS Inhibitors

  摘要：

  Dihydroquinolines have been synthesized and have been shown to be potent n-NOS inhibitors. Selectivity versus e-NOS was increased to approximately 100-fold through appropriate substitution at the benzene ring. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00481-x

文献信息

• Ring Effects in Autoxidation. A New Type of Camps Reaction^1,2
  作者：Bernhard Witkop、James B. Patrick、Myron Rosenblum

  DOI：10.1021/ja01150a065

  日期：1951.6