3-[(4R)-4-methyl-1-oxaspiro[2.5]octan-4-yl]propanenitrile | 218898-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环氧化物
• 英文名称: 3-[(4R)-4-methyl-1-oxaspiro[2.5]octan-4-yl]propanenitrile
• CAS: 218898-56-7
• 化学式: C₁₁H₁₇NO
• 分子量: 179.262
• InChiKey: NZXOBWFONAGQAW-NFJWQWPMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-[(4R)-4-methyl-1-oxaspiro[2.5]octan-4-yl]propanenitrile 在 三氟化硼乙醚 作用下， 生成 3-[(1R)-2-formyl-1-methylcyclohexyl]propanenitrile
  参考文献：
  名称：

  The asymmetric Michael reaction involving chiral imines: Use of acrylonitrile as acceptor and subsequent functionalization of the adducts

  摘要：

  Condensation of chiral imines 1 and acrylonitrile led to adduct (R)-6 with an ee greater than or equal to 95 %. This adduct has then been converted into chiral synthons 9, 11, 12 and 17.

  DOI：

  10.1016/0957-4166(94)80071-5
• 作为产物：
  描述：

  (1R.E)-N-(2-methylcyclohexylidene)-1-phenylethanamine 在 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 70.0h， 生成 3-[(4R)-4-methyl-1-oxaspiro[2.5]octan-4-yl]propanenitrile
  参考文献：
  名称：

  The asymmetric Michael reaction involving chiral imines: Use of acrylonitrile as acceptor and subsequent functionalization of the adducts

  摘要：

  Condensation of chiral imines 1 and acrylonitrile led to adduct (R)-6 with an ee greater than or equal to 95 %. This adduct has then been converted into chiral synthons 9, 11, 12 and 17.

  DOI：

  10.1016/0957-4166(94)80071-5

文献信息

• The asymmetric Michael reaction involving chiral imines: Use of acrylonitrile as acceptor and subsequent functionalization of the adducts
  作者：Didier Desmaële、Fatima Zouhiri、Jean d'Angelo

  DOI：10.1016/0957-4166(94)80071-5

  日期：1994.9

  Condensation of chiral imines 1 and acrylonitrile led to adduct (R)-6 with an ee greater than or equal to 95 %. This adduct has then been converted into chiral synthons 9, 11, 12 and 17.