3-(2-Chloroethyl)-3-(2-azabicyclo<3.2.2>nonane) hydrochloride | 1990-78-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 3-(2-Chloroethyl)-3-(2-azabicyclo<3.2.2>nonane) hydrochloride
• 英文别名: 3-(2-chloroethyl)-3-azabicyclo(3.2.2)nonane hydrochloride；3-(2-Chloroethyl)-3-(2-azabicyclo[3.2.2]nonane) hydrochloride；3-(2-chloroethyl)-3-azabicyclo[3.2.2]nonane;hydrochloride
• CAS: 1990-78-9
• 化学式: C₁₀H₁₈ClN*ClH
• 分子量: 224.174
• InChiKey: FLQTVVCVTVCLHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.07
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  4.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(2-Chloroethyl)-3-(2-azabicyclo<3.2.2>nonane) hydrochloride 生成 3-[2-(3-Azabicyclo[3.2.2]non-3-yl)ethyl]-8-(1,1-dimethylethyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-c]pyridin-5-one, dihydrochloride
  参考文献：
  名称：

  CONNOR, D. T.;SCHWENDER, C. F.;SORENSON, R. J.;UNANGST, P. C.

  摘要：

  DOI：

文献信息

• Preparation of benzo[c][2,7]naphthyridin-5(1<i>H</i>)-ones as analogs of benzopyrano[3,4-<i>c</i>]pyridin-5-one bronchodilators
  作者：Paul C. Unangst、David T. Connor、Mary E. Carethers、Charles S. Schwender、Richard E. Brown、Chester Puchalski

  DOI：10.1002/jhet.5570230355

  日期：1986.5

  A series of 2,3,4,6-tetrahydro-8,9-dimethoxybenzo[c][2,7]naphthyridin-5(1H)-ones was prepared as potential anticholinergic bronchodilators. The naphthyridine ring system was constructed by cyclization of a 3-amido-4-piperidone. Alkylation with alkylaminoethyl chlorides or reductive amination of an intermediate methyl ketone yielded the final target compounds.

  制备了一系列2,3,4,6-四氢-8,9-二甲氧基苯并[ c ] [2,7]萘啶-5（1 H）-酮类化合物作为潜在的抗胆碱能支气管扩张剂。萘啶环体系是通过3-氨基-4-哌啶酮的环化而构建的。用烷基氨基乙基氯化物进行烷基化或中间体甲基酮的还原胺化，得到最终的目标化合物。
• 3-[2-(Azabicyclo)
  申请人：Warner-Lambert Company

  公开号：US04404138A1

  公开（公告）日：1983-09-13

  Anticholinergic 3-[2-(azabicyclo)ethyl]-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-c]pyridin -5-ones useful for treating bronchospastic diseases in mammals are disclosed. Also disclosed are methods for preparing said compounds, pharmaceutical compositions containing them and methods for using said pharmaceutical compositions.

  抗胆碱药物3-[2-(氮杂双环)乙基]-1,2,3,4-四氢-5H-[1]苯并吡喃[3,4-c]吡啶-5-酮，用于治疗哺乳动物的支气管痉挛性疾病。还公开了制备这些化合物的方法，含有它们的药物组合物以及使用这些药物组合物的方法。
• Novel 3-(2-(azabicyclo) ethyl)1,2,3,4-tetrahydro-5H(1)benzopyrano(3,4-c)pyridin-5-ones, pharmaceutical compositions containing them and processes for their production
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0101162A2

  公开（公告）日：1984-02-22

  Anticholinergic 3-[2-(azabicyclo)ethyl)-1,2,3,4-tetra- hydro-5H-[1]benzopyrano[3,4-c]pyridin-5-ones, useful for treating broncho-spastic diseases in mammals, are disclosed. Also disclosed are methods for preparing such novel compounds, and pharmaceutical compositions containing them. The novel compounds have the formula I: wherein R1 is a hydrogen atom, an alkyl radical having from 1 to 6 carbon atoms, an alkoxy radical having from 1 to 6 carbon atoms, or a hydroxy, nitro, halo, amino or acylamino radical; R2 is a hydrogen atom, a hydroxy radical, an alkyl radical having from 1 to 6 carbon atoms, an alkoxy radical having from 1 to 6 carbon atoms or a phenyl radical; R3 is a hydrogen atom or an alkoxy radical having from 1 to 6 carbon atoms; or R1 and R2 taken together are -OCH20-; or R2 and R3 taken together are -CH=CH-CH=CH-; and or a pharmaceutically acceptable salt thereof, provided that R1 is not hydroxy when R2 is -OC2H5 and X is

  本发明公开了可用于治疗哺乳动物支气管痉挛性疾病的抗胆碱能 3-[2-(氮杂双环)乙基)-1,2,3,4-四氢-5H-[1]苯并吡喃并[3,4-c]吡啶-5-酮。还公开了制备此类新型化合物的方法以及含有这些化合物的药物组合物。这些新型化合物具有式 I： 其中 R1 是氢原子、具有 1 至 6 个碳原子的烷基、具有 1 至 6 个碳原子的烷氧基或羟基、硝基、卤代、氨基或酰氨基；R2 是氢原子、羟基、具有 1 至 6 个碳原子的烷基、具有 1 至 6 个碳原子的烷氧基或苯基； R3 是氢原子或具有 1 至 6 个碳原子的烷氧基；或 R1 和 R2 合起来是-OCH20-；或 R2 和 R3 合起来是-CH=CH-CH=CH-；以及 或其药学上可接受的盐，条件是当 R2 是-OC2H5 时 R1 不是羟基，且 X 是
• CONNOR, D. T.;SCHWENDER, C. F.;SORENSON, R. J.;UNANGST, P. C.
  作者：CONNOR, D. T.、SCHWENDER, C. F.、SORENSON, R. J.、UNANGST, P. C.

  DOI：——

  日期：——
• US4404138A
  申请人：——

  公开号：US4404138A

  公开（公告）日：1983-09-13