3,3-dichloro-4,4-dimethyl-2-oxoperhydroazepine | 129769-00-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 3,3-dichloro-4,4-dimethyl-2-oxoperhydroazepine
• 英文别名: 3,3-dichloro-4,4-dimethylazepan-2-one
• CAS: 129769-00-2
• 化学式: C₈H₁₃Cl₂NO
• 分子量: 210.103
• InChiKey: LRGVBDYAPZQLKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,3-dichloro-4,4-dimethyl-2-oxoperhydroazepine 在 palladium-carbon 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 3-chloro-4,4-dimethyl-2-oxoperhydroazepine
  参考文献：
  名称：

  Heterocyclic piperidinyl compounds having analgesic effect

  摘要：

  化合物，或其配合物或盐，化学式（I）如下：##STR1## 其中：RCO是一种酰基，其中基团R包含一个取代或未取代的碳环芳香族或杂环芳香族环；R.sub.1和R.sub.2分别是氢、C.sub.1-6烷基、C.sub.2-6烯基、C.sub.3-6环烷基或C.sub.4-12环烷基烷基基团，或者一起形成一个C.sub.2-8支链或线性聚亚甲基或C.sub.2-6烯基基团，可选择地取代一个杂原子，R.sub.3是氢、C.sub.1-6烷基或苯基，或R.sub.3与R.sub.1一起形成一个--(CH.sub.2).sub.3--或--(CH.sub.2).sub.4--基团；R.sub.4和R.sub.5分别是氢、羟基、卤素、C.sub.1-6烷基或芳基，只要R.sub.4和R.sub.5不同时是氢；p是1到4之间的整数，用于治疗疼痛或低钠血症疾病状态。

  公开号：

  US05089507A1

文献信息

• N-Acylated azacyclic compounds, processes for their preparations and their use as medications
  申请人：Smithkline Beecham Farmaceutici S.p.A.

  公开号：EP0447704A1

  公开（公告）日：1991-09-25

  A compound, or a solvate or salt thereof, of formula (I): in which: RCO is an acyl group in which the group R contains a substituted or unsubstituted carbocyclic aromatic or heterocyclic aromatic ring; R₁ and R₂ are independently hydrogen, C₁₋₆ alkyl, C₂₋₆ alkenyl, C₃₋₆ cycloalkyl or C₄₋₁₂ cycloalkylalkyl groups, or together form a C₂₋₈ branched or linear polymethylene or C₂₋₆ alkenylene group, optionally substituted with a hetero-atom, R₃ is hydrogen , C₁₋₆ alkyl or phenyl, or R₃ together with R₁ form a -(CH₂)₃- or -(CH₂)₄- group; R₄ and R₅ are independently hydrogen, hydroxyl, halogen, C₁₋₆ alkyl or aryl, provided both R₄ and R₅ are not simultaneously hydrogen; and p is an integer from 1 to 4, is useful for the treatment of pain or hyponatraemic disease states.

  化合物，或其配合物或盐，其化学式为（I）：其中：RCO是一种酰基，其中基团R包含一个取代或未取代的碳环芳香族或杂环芳香族环；R₁和R₂分别是氢、C₁₋₆烷基、C₂₋₆烯基、C₃₋₆环烷基或C₄₋₁₂环烷基烷基，或者一起形成一个C₂₋₈支链或线性聚亚甲基或C₂₋₆烯基烷基，可选地取代有一个杂原子；R₃是氢、C₁₋₆烷基或苯基，或R₃与R₁一起形成一个-(CH₂)₃-或-(CH₂)₄-基团；R₄和R₅分别是氢、羟基、卤素、C₁₋₆烷基或芳基，前提是R₄和R₅不能同时为氢；p是从1到4的整数，对于治疗疼痛或低钠血症状是有用的。
• Azacyclic derivatives useful as medicaments
  申请人：Smithkline Beecham Farmaceutici S.p.A.

  公开号：EP0361791A2

  公开（公告）日：1990-04-04

  A compound, or a solvate or salt thereof, of formula (I): in which: RCO is an acyl group in which the group R contains a substituted or unsubstituted carbocyclic aromatic or heterocyclic aromatic ring; R₁ and R₂ are independently hydrogen, C₁₋₆ alkyl, C₂₋₆ alkenyl, C₃₋₆ cycloalkyl or C₄₋₁₂ cycloalkylalkyl groups, or together form a C₂₋₈ branched or linear polymethylene or C₂₋₆ alkenylene group, optionally substituted with a hetero-atom, R₃ is hydrogen, C₁₋₆ alkyl or phenyl, or R₃ together with R₁ form a -(CH₂)₃- or -(CH₂)₄- group; R₄ and R₅ are independently hydrogen, hydroxyl, halogen, C₁₋₆ alkyl or aryl, provided both R₄ and R₅ are not simultaneously hydrogen; and p is an integer from 1 to 4, is useful for the treatment of pain or hyponatraemic disease states.

  一种式(I)化合物或其溶液或盐： 其中 RCO 是酰基，其中基团 R 含有取代或未取代的碳环芳香环或杂环芳香环； R₁ 和 R₂ 独立地为氢、C₁₋₆ 烷基、C₂₋₆ 烯基、C₃₋₆ 环烷基或 C₄₋₁₂ 环烷基烷基、或共同形成 C₂₋₈支链或线性聚亚甲基或 C₂₋₆烯基，可选被杂原子取代、 R₃ 是氢、C₁₋₆ 烷基或苯基，或 R₃ 与 R₁ 共同形成 -(CH₂)₃- 或 -(CH₂)₄- 基团； R₄ 和 R₅ 独立地为氢、羟基、卤素、C₁₋₆ 烷基或芳基，但 R₄ 和 R₅ 不能同时为氢；且 p 为 1 至 4 的整数、 可用于治疗疼痛或低钠血症状态。
• US5089507A
  申请人：——

  公开号：US5089507A

  公开（公告）日：1992-02-18
• Heterocyclic piperidinyl compounds having analgesic effect
  申请人：Dr. L. Zambeletti SpA

  公开号：US05089507A1

  公开（公告）日：1992-02-18

  A compound, or a solvate or salt thereof, of formula (I): ##STR1## in which: RCO is an acyl group in which the group R contains a substituted or unsubstituted carbocyclic aromatic or heterocyclic aromatic ring; R.sub.1 and R.sub.2 are independently hydrogen, C.sub.1-6 alkyl, C.sub.2-6 alkenyl, C.sub.3-6 cycloalkyl or C.sub.4-12 cycloalkylalkyl groups, or together form a C.sub.2-8 branched or linear polymethylene or C.sub.2-6 alkenylene group, optionally substituted with a hetero-atom, R.sub.3 is hydrogen, C.sub.1-6 alkyl or phenyl, or R.sub.3 together with R.sub.1 form a --(CH.sub.2).sub.3 -- or --(CH.sub.2).sub.4 -- group; R.sub.4 and R.sub.5 are independently hydrogen, hydroxyl, halogen, C.sub.1-6 alkyl or aryl, provided both R.sub.4 and R.sub.5 are not simultaneously hydrogen; and p is an integer from 1 to 4, is useful for the treatment of pain or hyponatraemic disease states.

  化合物，或其配合物或盐，化学式（I）如下：##STR1## 其中：RCO是一种酰基，其中基团R包含一个取代或未取代的碳环芳香族或杂环芳香族环；R.sub.1和R.sub.2分别是氢、C.sub.1-6烷基、C.sub.2-6烯基、C.sub.3-6环烷基或C.sub.4-12环烷基烷基基团，或者一起形成一个C.sub.2-8支链或线性聚亚甲基或C.sub.2-6烯基基团，可选择地取代一个杂原子，R.sub.3是氢、C.sub.1-6烷基或苯基，或R.sub.3与R.sub.1一起形成一个--(CH.sub.2).sub.3--或--(CH.sub.2).sub.4--基团；R.sub.4和R.sub.5分别是氢、羟基、卤素、C.sub.1-6烷基或芳基，只要R.sub.4和R.sub.5不同时是氢；p是1到4之间的整数，用于治疗疼痛或低钠血症疾病状态。