dibenzyl 2-benzyl-2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate | 1206725-12-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: dibenzyl 2-benzyl-2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
• CAS: 1206725-12-3
• 化学式: C₃₆H₃₇NO₆
• 分子量: 579.693
• InChiKey: NTHJANIDQYMKPP-HKBQPEDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  43
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  benzaldehyde N-boc imine 、 dibenzyl benzylmalonate 在 calcium bis-iso-propoxide 、 2,6-双[(4S)-4-苄基-2-恶唑啉基]吡啶 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 2.5h， 生成 、 dibenzyl 2-benzyl-2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
  参考文献：
  名称：

  Asymmetric Mannich Reaction of Malonates with Imines Catalyzed by a Chiral Calcium Complex

  摘要：

  A chiral calcium complex was found to be effective for the Mannich reactions of malonates with N-Boc imines. The desired adducts were obtained in excellent yields (up to 95%) with moderate to good enantioselectivities (up to 77% ee).

  DOI：

  10.1021/jo902383b

文献信息

• Asymmetric Mannich Reaction of Malonates with Imines Catalyzed by a Chiral Calcium Complex
  作者：Thomas Poisson、Tetsu Tsubogo、Yasuhiro Yamashita、Shu̅ Kobayashi

  DOI：10.1021/jo902383b

  日期：2010.2.5

  A chiral calcium complex was found to be effective for the Mannich reactions of malonates with N-Boc imines. The desired adducts were obtained in excellent yields (up to 95%) with moderate to good enantioselectivities (up to 77% ee).