1-(o-chlorophenyl)-4-<(1,3,4,5-tetrahydro-7,8-dimethoxy-4,4-dimethyl-2-benzoxepin-1-yl)ethyl>piperazine | 102638-00-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(o-chlorophenyl)-4-<(1,3,4,5-tetrahydro-7,8-dimethoxy-4,4-dimethyl-2-benzoxepin-1-yl)ethyl>piperazine
• 英文别名: 4-(2-chlorophenyl)-1-[2-(1,3,4,5-tetrahydro-7,8-dimethoxy-4,4-dimethyl-2-benzoxepin-1-yl)ethyl]piperazine；1-(o-chlorophenyl)-4-[(1,3,4,5-tetrahydro-7,8-dimethoxy-4,4-dimethyl-2-benzoxepin-1-yl)ethyl]piperazine；1-(2-chlorophenyl)-4-[2-(7,8-dimethoxy-4,4-dimethyl-3,5-dihydro-1H-2-benzoxepin-1-yl)ethyl]piperazine
• CAS: 102638-00-6
• 化学式: C₂₆H₃₅ClN₂O₃
• 分子量: 459.028
• InChiKey: FKHZSTICIOGZDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  34.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(2-氯苯基)哌嗪 、 7,8-dimethoxy-4,4-dimethyl-1-(chloroethyl)-1,3,4,5-tetrahydro-2-benzoxepin 以 乙二醇 为溶剂， 反应 19.0h， 生成 1-(o-chlorophenyl)-4-<(1,3,4,5-tetrahydro-7,8-dimethoxy-4,4-dimethyl-2-benzoxepin-1-yl)ethyl>piperazine
  参考文献：
  名称：

  Tetrahydro-2-benzoxepins: a novel family of hypotensives

  摘要：

  A novel series of 1-(alkylamino)-1,3,4,5-tetrahydro-7,8-dimethoxy-2-benzoxepins shows hypotensive activity. A typical example is 1-[2-(1,3,4,5-tetrahydro-7,8-dimethoxy-2-benzoxepin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine. This compound is an alpha blocker with peripheral and central activities.

  DOI：

  10.1021/jm00133a014

文献信息

• TENBRINK R. E.; MCCALL J. M.; PALS D. T.; MCCALL R. B.; ORLEY J.; HUMPHRE+, J. MED. CHEM., 1981, 24, NO 1, 64-67
  作者：TENBRINK R. E.、 MCCALL J. M.、 PALS D. T.、 MCCALL R. B.、 ORLEY J.、 HUMPHRE+

  DOI：——

  日期：——
• US4556656A
  申请人：——

  公开号：US4556656A

  公开（公告）日：1985-12-03
• Tetrahydro-2-benzoxepins: a novel family of hypotensives
  作者：Ruth E. TenBrink、John M. McCall、Donald T. Pals、Robert B. McCall、John Orley、Steve J. Humphrey、Michael G. Wendling

  DOI：10.1021/jm00133a014

  日期：1981.1

  A novel series of 1-(alkylamino)-1,3,4,5-tetrahydro-7,8-dimethoxy-2-benzoxepins shows hypotensive activity. A typical example is 1-[2-(1,3,4,5-tetrahydro-7,8-dimethoxy-2-benzoxepin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine. This compound is an alpha blocker with peripheral and central activities.