3-[2-(3-azabicyclo[3.2.2]non-3-yl)ethyl]-1,2,3,4-tetrahydro-8,9-dimethyl-5H-[1]benzopyrano[3,4-c]pyridin-5-one | 87942-35-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-[2-(3-azabicyclo[3.2.2]non-3-yl)ethyl]-1,2,3,4-tetrahydro-8,9-dimethyl-5H-[1]benzopyrano[3,4-c]pyridin-5-one
• 英文别名: 3-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-8,9-dimethyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
• CAS: 87942-35-6
• 化学式: C₂₄H₃₂N₂O₂
• 分子量: 380.53
• InChiKey: IWEZROLEOJAXJZ-UHFFFAOYSA-N

物化性质

• 熔点：
  174-175 °C(Solv: methanol (67-56-1))
• 沸点：
  546.8±50.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  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]-1,2,3,4-tetrahydro-8,9-dimethyl-5H-[1]benzopyrano[3,4-c]pyridin-5-one
  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

• Synthesis of 1,2,3,4-tetrahydro-5<i>H</i>-[1]benzopyrano[3,4-<i>c</i>]pyridin-5-ones. II. Substitution at the 3-position with 2-aminoethyl and 2-aminopropyl side chains
  作者：David T. Connor、Paul C. Unangst、Charles F. Schwender、Roderick J. Sorenson、Mary E. Carethers、Chester Puchalski、Richard E. Brown

  DOI：10.1002/jhet.5570210564

  日期：1984.9

  Methods for the synthesis of 3-[2-aminoethyl]-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-c]pyridin-5-ones and 3-[2-aminopropyl]-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-c]pyridin-5-ones are described. The scope and limitations of the various methods are discussed.

  合成3- [2-氨基乙基] -1,2,3,4-四氢-5 H- [1]苯并吡喃并[3,4- c ]吡啶-5-酮和3- [2-氨基丙基]的方法描述了-1,2,3,4-四氢-5 H- [1]苯并吡喃并[3,4- c ]吡啶基-5-一个。讨论了各种方法的范围和局限性。
• 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, DAVID T.;UNANGST, PAUL C.;SCHWENDER, CHARLES F.;SORENSON, RODERIC+, J. MED. CHEM., 32,(1989) N, C. 683-688
  作者：CONNOR, DAVID T.、UNANGST, PAUL C.、SCHWENDER, CHARLES F.、SORENSON, RODERIC+

  DOI：——

  日期：——
• CONNOR, D. T.;UNANGST, P. C.;SCHWENDER, CH. F.;SORENSON, R. J.;CARETHERS,+, J. HETEROCYCL. CHEM., 1984, 21, N 5, 1561-1564
  作者：CONNOR, D. T.、UNANGST, P. C.、SCHWENDER, CH. F.、SORENSON, R. J.、CARETHERS,+

  DOI：——

  日期：——