(+/-)-2-(2-Phenyl-2-cyan-aethyl)-malonsaeure-diaethylester | 93028-06-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (+/-)-2-(2-Phenyl-2-cyan-aethyl)-malonsaeure-diaethylester
• 英文别名: (+/-)-(β-Cyan-phenaethyl)-malonsaeure-diaethylester；(2-cyano-2-phenyl-ethyl)-malonic acid diethyl ester；(2-Cyan-2-phenyl-aethyl)-malonsaeure-diaethylester；Diethyl 2-(2-cyano-2-phenylethyl)propanedioate
• CAS: 93028-06-9
• 化学式: C₁₆H₁₉NO₄
• 分子量: 289.331
• InChiKey: GHUFWPHGSZGQCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丙二酸二乙酯 、 alkaline earth salt of/the/ methylsulfuric acid 生成 (+/-)-2-(2-Phenyl-2-cyan-aethyl)-malonsaeure-diaethylester
  参考文献：
  名称：

  The Preparation of Some β-Aryl-β-carboxypiperidones

  摘要：

  DOI：

  10.1021/ja01512a056

文献信息

• PROCESS FOR PRODUCING 4-ARYLPIPERIDINE-3-CARBINOLS AND RELATED COMPOUNDS
  申请人：Synthon B.V.

  公开号：EP1124802A1

  公开（公告）日：2001-08-22
• [EN] PROCESS FOR PRODUCING 4-ARYLPIPERIDINE-3-CARBINOLS AND RELATED COMPOUNDS<br/>[FR] PROCEDE DE PRODUCTION DE 4-ARYLPIPERIDINE-3-CARBINOLS ET COMPOSES CORRESPONDANTS
  申请人：SYNTHON BV

  公开号：WO2000026187A1

  公开（公告）日：2000-05-11

  Aryl-2-piperidones of formula (7) can be reduced to form aryl-piperidine carbinols of formula (1), which are useful in forming a variety of pharmaceutical compounds including paroxetine, in good yield and purity. Related compounds and synthesis schemes are also set forth. In said formulas, X represents a hydrogen atom, a halogen atom, a lower alkyl group, an aralkyl group, an alkoxy group, a dialkylamino group or an alkylthio group; R represents a hydrogen atom, a lower alkyl group, an aryl group, an aralkyl group, an alkoxycarbonyl group, aralkoxycarbonyl group or an aryloxycarbonyl group; and R1 represents a hydrogen atom, a lower alkyl group, an aryl group or an aralkyl group.