[2-Phenoxy-cyclohex-(E)-ylidene]-((R)-1-phenyl-ethyl)-amine | 1025890-49-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2-Phenoxy-cyclohex-(E)-ylidene]-((R)-1-phenyl-ethyl)-amine
• CAS: 1025890-49-6
• 化学式: C₂₀H₂₃NO
• 分子量: 293.409
• InChiKey: DJCRVXQFFQGCSZ-QDXULNRGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.21
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  21.59
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [2-Phenoxy-cyclohex-(E)-ylidene]-((R)-1-phenyl-ethyl)-amine 在 镍 氢气 作用下， 以 乙醇 为溶剂， 反应 504.0h， 生成 (1R,2S)-2-phenoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
  参考文献：
  名称：

  Diastereo- and enantioselective synthesis of cis-2-hydroxycyclohexanamine and corresponding ethers by asymmetric reductive amination

  摘要：

  A series of homochiral cis-2-alkoxy- and 2-aryloxycyclohexanamines 5b-5e has been synthesised by means of asymmetric reductive amination of the corresponding racemic 2-oxygenated cyclohexanones 2 with ee-values ranging from 95 to >99%. The respective 2-hydroxy and 2-cyclohexyl derivatives 5g-5h have been prepared from the 2-phenoxycyclohexanamine 4e. Relative and absolute stereochemistry has been elucidated. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00456-4
• 作为产物：
  描述：

  2-氯环己酮 、 alkaline earth salt of/the/ methylsulfuric acid 以 甲苯 、 苯 为溶剂， 反应 20.0h， 生成 [2-Phenoxy-cyclohex-(E)-ylidene]-((R)-1-phenyl-ethyl)-amine
  参考文献：
  名称：

  Diastereo- and enantioselective synthesis of cis-2-hydroxycyclohexanamine and corresponding ethers by asymmetric reductive amination

  摘要：

  A series of homochiral cis-2-alkoxy- and 2-aryloxycyclohexanamines 5b-5e has been synthesised by means of asymmetric reductive amination of the corresponding racemic 2-oxygenated cyclohexanones 2 with ee-values ranging from 95 to >99%. The respective 2-hydroxy and 2-cyclohexyl derivatives 5g-5h have been prepared from the 2-phenoxycyclohexanamine 4e. Relative and absolute stereochemistry has been elucidated. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00456-4