(3S,4R) methyl N-methoxycarbonyl-1,2,3,4-tetrahydro-4-phenyl-3-isoquinolinecarboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (3S,4R) methyl N-methoxycarbonyl-1,2,3,4-tetrahydro-4-phenyl-3-isoquinolinecarboxylate
• 英文别名: dimethyl (3S,4R)-4-phenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate
• 化学式: C₁₉H₁₉NO₄
• 分子量: 325.364
• InChiKey: VSNPBPVHAKOXJY-SJORKVTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3S,4R) methyl N-methoxycarbonyl-1,2,3,4-tetrahydro-4-phenyl-3-isoquinolinecarboxylate 在 盐酸 作用下， 反应 24.0h， 生成 (3S,4R)-1,2,3,4-tetrahydro-4-phenyl-3-isoquinolinecarboxylic acid hydrochloride
  参考文献：
  名称：

  Pictet-Spengler Cyclization of 3,3-Diphenylalanine (DIP) (III), Synthesis of Optically Pure 1,2,3,4-Tetrahydro-4-phenyl-3-isoquinolinecarboxylic Acids, Novel α-Amino Acids for Peptides of Biological Interest

  摘要：

  All four isomers of 1,2,3,4-tetrahydro-4-phenyl-3-isoquinolinecarboxylic acid have been synthesized in highoptical purity for the synthesis of peptides of biological interest.

  DOI：

  10.1080/00397919508010788
• 作为产物：
  描述：

  聚合甲醛 、 methyl N-methoxycarbonyl-3,3-diphenylpropionate 在 硫酸 、 溶剂黄146 作用下， 反应 24.0h， 生成 (3S,4R) methyl N-methoxycarbonyl-1,2,3,4-tetrahydro-4-phenyl-3-isoquinolinecarboxylate 、 (3S,4S) methyl N-methoxycarbonyl-1,2,3,4-tetrahydro-4-phenyl-3-isoquinolinecarboxylate
  参考文献：
  名称：

  Pictet-Spengler Cyclization of 3,3-Diphenylalanine (DIP) (III), Synthesis of Optically Pure 1,2,3,4-Tetrahydro-4-phenyl-3-isoquinolinecarboxylic Acids, Novel α-Amino Acids for Peptides of Biological Interest

  摘要：

  All four isomers of 1,2,3,4-tetrahydro-4-phenyl-3-isoquinolinecarboxylic acid have been synthesized in highoptical purity for the synthesis of peptides of biological interest.

  DOI：

  10.1080/00397919508010788

文献信息

• Pictet-Spengler Cyclization of 3,3-Diphenylalanine (DIP) (III), Synthesis of Optically Pure 1,2,3,4-Tetrahydro-4-phenyl-3-isoquinolinecarboxylic Acids, Novel α-Amino Acids for Peptides of Biological Interest
  作者：Huai G. Chen、O. P. Goel

  DOI：10.1080/00397919508010788

  日期：1995.1

  All four isomers of 1,2,3,4-tetrahydro-4-phenyl-3-isoquinolinecarboxylic acid have been synthesized in highoptical purity for the synthesis of peptides of biological interest.