6,7,8,9-tetrahydro-5H-benzo[a]cycloheptan-5-hydroxyimino-6-one | 477977-75-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 6,7,8,9-tetrahydro-5H-benzo[a]cycloheptan-5-hydroxyimino-6-one
• 英文别名: 5-hydroxyimino-8,9-dihydro-7H-benzo[7]annulen-6-one
• CAS: 477977-75-6
• 化学式: C₁₁H₁₁NO₂
• 分子量: 189.214
• InChiKey: PPFNKAXNPMDRKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6,7,8,9-tetrahydro-5H-benzo[a]cycloheptan-5-hydroxyimino-6-one 在 ammonium acetate 、 三氯化磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-phenyl-5,6-dihydro-4H-1,3-diazabenzo[e]azulene
  参考文献：
  名称：

  Novel potent antagonists of human neuropeptide Y-Y5 receptor. Part 4: tetrahydrodiazabenzazulene derivatives

  摘要：

  Novel tetrahydrodiazabenzazulene derivatives. designed from the lead compound 1 discovered by screening of our in-house chemical library, were prepared and found to be potent neuropeptide Y-Y5 (NPY-Y5) receptor antagonists. The structure-activity relationships are described. Compounds 7 (FR240662) and 16 (FR252384) were especially attractive owing to their high affinities for the NPY-Y5 receptors, oral absorption and permeability to brain. (C), 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00090-2
• 作为产物：
  描述：

  5,7,8,9-四氢苯并[7]轮烯-6-酮 在 盐酸 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 为溶剂， 生成 6,7,8,9-tetrahydro-5H-benzo[a]cycloheptan-5-hydroxyimino-6-one
  参考文献：
  名称：

  Novel potent antagonists of human neuropeptide Y-Y5 receptor. Part 4: tetrahydrodiazabenzazulene derivatives

  摘要：

  Novel tetrahydrodiazabenzazulene derivatives. designed from the lead compound 1 discovered by screening of our in-house chemical library, were prepared and found to be potent neuropeptide Y-Y5 (NPY-Y5) receptor antagonists. The structure-activity relationships are described. Compounds 7 (FR240662) and 16 (FR252384) were especially attractive owing to their high affinities for the NPY-Y5 receptors, oral absorption and permeability to brain. (C), 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00090-2

文献信息

• Novel potent antagonists of human neuropeptide Y-Y5 receptor. Part 4: tetrahydrodiazabenzazulene derivatives
  作者：Yoshinari Satoh、Chie Hatori、Harunobu Ito

  DOI：10.1016/s0960-894x(02)00090-2

  日期：2002.4

  Novel tetrahydrodiazabenzazulene derivatives. designed from the lead compound 1 discovered by screening of our in-house chemical library, were prepared and found to be potent neuropeptide Y-Y5 (NPY-Y5) receptor antagonists. The structure-activity relationships are described. Compounds 7 (FR240662) and 16 (FR252384) were especially attractive owing to their high affinities for the NPY-Y5 receptors, oral absorption and permeability to brain. (C), 2002 Elsevier Science Ltd. All rights reserved.