Methyl 6-ethyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate | 1426062-18-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: Methyl 6-ethyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
• CAS: 1426062-18-1
• 化学式: C₁₁H₁₇NO₂
• 分子量: 195.261
• InChiKey: DWWRLPWSEZTINV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (±)-endo-methyl-6-hydroxy-2-azabicyclo[2.2.2]octane-2-carboxylate 在 copper(I) bromide dimethylsulfide complex 、 sodium acetate 、 pyridinium chlorochromate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 为溶剂， 反应 20.33h， 生成 Methyl 6-ethyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
  参考文献：
  名称：

  [EN] SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS
  [FR] PETITES MOLÉCULES INDUCTRICES DE GDNF COMME NOUVELLE THÉRAPEUTIQUE POSSIBLE DES TROUBLES NEUROPSYCHIATRIQUES

  摘要：

  本发明提供了一种具有结构（I）的化合物，其中A是取代的或未取代的环；Z是否存在，如果存在则为（II），其中n为0，1，2，3或4；Y是-(CR11R12)-，-NH(CR11R12)-或-O(CR11R12)-，其中R11和R12分别是氢或结合形成一个羰基；以及其中R1至R10如本文所述。

  公开号：

  WO2013028999A1

文献信息

• SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS
  申请人：Sames Dalibor

  公开号：US20150056699A1

  公开（公告）日：2015-02-26

  This invention provides a compound having the structure wherein A is a ring structure, with or without substitution; Z is present or absent and when present is wherein n is 0, 1, 2, 3, or 4; Y is —(CR 11 R 12 )—, —NH(CR 11 R 12 )—, or —O(CR 11 R 12 )—, wherein R 11 and R 12 are each hydrogen or combine to form a carbonyl; R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are independently H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroalkyl, substituted or unsubstituted heteroaryl, hydroxyl, amino, ester or amide; α represents a bond, which is present or absent and when α is present, then R 7 and R 8 are absent; R 7 and R 8 are present when α is absent and are independently H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroalkyl, substituted or unsubstituted heteroaryl, hydroxyl, amino, ester, amide or R 5 and R 7 combine to form a carbonyl or R 6 and R 8 combine to form a carbonyl; R 9 and R 10 are each hydrogen or combine to form a carbonyl; and when α is present, Z is where n=1, Y is —(CR 11 R 12 )— where R 11 and R 12 are H, A is unsubstituted indole attached at the 3-position of the indole, R 3 , R 4 , R 5 , R 6 , R 9 and R 10 are each H, and one of R 1 or R 2 is H, then the other one of R 1 or R 2 is other than H or ethyl, or a pharmaceutically acceptable salt, diastereomer, or enantiomer thereof.
• US9988377B2
  申请人：——

  公开号：US9988377B2

  公开（公告）日：2018-06-05