2-ethyl-11-chloro-6,11-dihydrodibenz[b,e]oxepin | 80627-08-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: 2-ethyl-11-chloro-6,11-dihydrodibenz[b,e]oxepin
• 英文别名: 11-Chloro-2-ethyl-6,11-dihydrobenzo[c][1]benzoxepine
• CAS: 80627-08-3
• 化学式: C₁₆H₁₅ClO
• 分子量: 258.748
• InChiKey: CTZAPAQBBBNJFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-ethyl-11-chloro-6,11-dihydrodibenz[b,e]oxepin 生成 2-ethyl-11-[2-(diethylamino)ethyl]amino-6,11-dihydrodibenz[b,e]oxepin
  参考文献：
  名称：

  TAKIDZAVA, XIROSI;MORITA, OSAMU;IKUTI, JOSIMASA;XASIMOTO, KOREH

  摘要：

  DOI：
• 作为产物：
  描述：

  2-ethyl-6,11-dihydrodibenzo[b,e] oxepine-11-ol 生成 2-ethyl-11-chloro-6,11-dihydrodibenz[b,e]oxepin
  参考文献：
  名称：

  TAKIDZAVA, XIROSI;MORITA, OSAMU;IKUTI, JOSIMASA;XASIMOTO, KOREH

  摘要：

  DOI：

文献信息

• Dibenz [b,e] oxepin derivatives
  申请人：Kyowa Hakko Kogyo Co., Ltd.

  公开号：US04396550A1

  公开（公告）日：1983-08-02

  Novel dibenz [b,e] oxepin derivatives represented by the general formula: ##STR1## wherein R.sub.11 represents an alkyl group containing 1 to 5 carbon atoms, an alkoxy group containing 1 to 5 carbon atoms, a halogen atom, a cyclohexyl group or a phenyl group; and R.sub.21 represents ##STR2## wherein X represents a hydrogen atom, a hydroxy group, an amino group or a substituted aralkyl group containing 7 to 20 carbon atoms, and n represents 0 or an integer of 1 to 3 ##STR3## or (3) --NH--(CH.sub.2).sub.n --Y, wherein Y represents an alkylamino group containing 1 to 5 carbon atoms, an aralkyl group containing 7 to 20 carbon atoms, a substituted aralkyl group, an aralkyloxy group containing 7 to 20 carbon atoms, an aralkylamino group containing 7 to 20 carbon atoms, a heterocyclic ring or a substituted heterocyclic ring, and n has the same meaning as defined before; provided that when R.sub.11 represents an alkyl group, an alkoxy group or a halogen atom, X does not represent a hydrogen atom; and the pharmaceutically acceptable acid addition salts thereof. Also disclosed are pharmaceutical compositions comprising a pharmaceutical carrier and, as an active ingredient, an effective amount of a dibenz [b,e] oxepin derivative represented by the following general formula: ##STR4## wherein R.sub.1 represents an alkyl group containing 1 to 5 carbon atoms, an alkoxy group containing 1 to 5 carbon atoms, a halogen atom, a cyclohexyl group or a phenyl group; and R.sub.2 represents ##STR5## wherein X represents a hydrogen atom, a hydroxy group, an amino group or a substituted aralkyl group containing 7 to 20 carbon atoms, and n has the same meaning as defined before ##STR6## or (3) --NH--(CH.sub.2).sub.n --Y, wherein Y and n have the same meaning as defined above; and the pharmaceutically acceptable acid addition salts thereof. Compound I, represented by the general formula (I), has antichlolinergic, antihistaminergic, antiasthmatic and antiplatelet aggregation activities, and is therefore useful as a sposmolysant, an antihistaminic, an antiasthmatic agent and as a medicament for cardiovascular or cerebrovascular diseases, respectively.

  新型二苯并[b,e]噁喹啉衍生物由以下通式表示：其中R.sub.11代表含有1到5个碳原子的烷基基团，含有1到5个碳原子的烷氧基团，卤素原子，环己基团或苯基团；而R.sub.21表示其中X代表氢原子，羟基，氨基或含有7到20个碳原子的取代芳基基团，n表示0或1到3的整数，或(3) --NH--(CH.sub.2).sub.n --Y，其中Y代表含有1到5个碳原子的烷基氨基团，含有7到20个碳原子的取代芳基基团，取代芳基氧基团，含有7到20个碳原子的取代芳基氨基团，杂环环或取代杂环环，n具有前述定义的相同含义；但当R.sub.11代表烷基基团，烷氧基或卤素原子时，X不代表氢原子；及其药学上可接受的酸盐。还公开了包含药物载体和作为活性成分的新型二苯并[b,e]噁喹啉衍生物的药物组合物，其通式如下：其中R.sub.1代表含有1到5个碳原子的烷基基团，含有1到5个碳原子的烷氧基团，卤素原子，环己基团或苯基团；而R.sub.2表示其中X代表氢原子，羟基，氨基或含有7到20个碳原子的取代芳基基团，n具有前述定义的相同含义，或(3) --NH--(CH.sub.2).sub.n --Y，其中Y和n具有上述定义的相同含义；及其药学上可接受的酸盐。通式(I)代表的化合物I具有抗胆碱能、抗组胺能、抗哮喘和抗血小板聚集活性，因此可用作抗痉挛剂、抗组胺剂、抗哮喘剂以及心血管或脑血管疾病的药物。
• TAKIZAWA, HIROSHI;MORITA, OSAMU;OIJI, YOSHIMASA;HASHIMOTO, TAMOTSU
  作者：TAKIZAWA, HIROSHI、MORITA, OSAMU、OIJI, YOSHIMASA、HASHIMOTO, TAMOTSU

  DOI：——

  日期：——
• Dibenz (b,e) oxepin derivatives and pharmaceutical compositions comprising them
  申请人：KYOWA HAKKO KOGYO CO., LTD

  公开号：EP0038564B1

  公开（公告）日：1984-09-12
• US4396550A
  申请人：——

  公开号：US4396550A

  公开（公告）日：1983-08-02
• TAKIDZAVA, XIROSI;MORITA, OSAMU;IKUTI, JOSIMASA;XASIMOTO, KOREH
  作者：TAKIDZAVA, XIROSI、MORITA, OSAMU、IKUTI, JOSIMASA、XASIMOTO, KOREH

  DOI：——

  日期：——