(S,R)-2-(1-(4-chlorophenyl)-2-methoxycarbonyl-2-methylpropylamino)-3-methylbutyric acid methyl ester | 478165-15-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S,R)-2-(1-(4-chlorophenyl)-2-methoxycarbonyl-2-methylpropylamino)-3-methylbutyric acid methyl ester
• 英文别名: methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2,2-dimethylpropanoate
• CAS: 478165-15-0
• 化学式: C₁₈H₂₆ClNO₄
• 分子量: 355.862
• InChiKey: JXOJKORPCWDIFL-LSDHHAIUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S,R)-2-(1-(4-chlorophenyl)-2-methoxycarbonyl-2-methylpropylamino)-3-methylbutyric acid methyl ester 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以69%的产率得到methyl (3R)-3-(4-chlorophenyl)-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,2-dimethylpropanoate
  参考文献：
  名称：

  InCl₃-Catalyzed Three-Component Asymmetric Mannich-Type Reaction in Methanol

  摘要：

  [GRAPHICS]A one-pot InCl3-Catalyzed Mannich-type reaction was carried out in methanol. High diastereoselectivities and high yields were obtained. In addition, after the reaction was completed, InCl3 can be recycled and reused without a drop of activity and selectivity.

  DOI：

  10.1021/ol0265968
• 作为产物：
  描述：

  1-甲氧基-1-(三甲基甲硅氧基)-2-甲基-1-丙烯 、 L-缬氨酸甲酯 、 4-氯苯甲醛 在 indium(III) chloride 作用下， 以 甲醇 为溶剂， 以57%的产率得到(S,R)-2-(1-(4-chlorophenyl)-2-methoxycarbonyl-2-methylpropylamino)-3-methylbutyric acid methyl ester
  参考文献：
  名称：

  InCl₃-Catalyzed Three-Component Asymmetric Mannich-Type Reaction in Methanol

  摘要：

  [GRAPHICS]A one-pot InCl3-Catalyzed Mannich-type reaction was carried out in methanol. High diastereoselectivities and high yields were obtained. In addition, after the reaction was completed, InCl3 can be recycled and reused without a drop of activity and selectivity.

  DOI：

  10.1021/ol0265968

文献信息

• Asymmetric Mannich-type reactions catalyzed by indium(III) complexes in ionic liquids
  作者：Shui-Ling Chen、Shun-Jun Ji、Teck-Peng Loh

  DOI：10.1016/s0040-4039(03)00189-8

  日期：2003.3

  In(III) complexes efficiently catalyse asymmetric Mannich-type reactions in ionic liquids with high diastereoselectivity and good yield.

  In（III）络合物以高非对映选择性和良好收率有效催化离子液体中的不对称曼尼希型反应。
• InCl₃-Catalyzed Three-Component Asymmetric Mannich-Type Reaction in Methanol
  作者：Teck-Peng Loh、Shui-Ling Chen

  DOI：10.1021/ol0265968

  日期：2002.10.1

  [GRAPHICS]A one-pot InCl3-Catalyzed Mannich-type reaction was carried out in methanol. High diastereoselectivities and high yields were obtained. In addition, after the reaction was completed, InCl3 can be recycled and reused without a drop of activity and selectivity.