(S)-3-Methyl-3,4-dihydro-1H-isoquinoline-2,3,6-tricarboxylic acid 2-tert-butyl ester 3,6-dimethyl ester | 216491-43-9

• 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)-3-Methyl-3,4-dihydro-1H-isoquinoline-2,3,6-tricarboxylic acid 2-tert-butyl ester 3,6-dimethyl ester
• CAS: 216491-43-9
• 化学式: C₁₉H₂₅NO₆
• 分子量: 363.411
• InChiKey: VIIDGNGCLTUNLU-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  82.14
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-3-Methyl-3,4-dihydro-1H-isoquinoline-2,3,6-tricarboxylic acid 2-tert-butyl ester 3,6-dimethyl ester 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of two analogues of (S)-α-methyl-3-carboxyphenylalanine

  摘要：

  Two analogues 2, 3 of (S)-alpha-methyl-3-carboxylphenylalanine 1 were synthesized to test their activity for metabotropic glutamate receptors (mGluRs). Both compounds 2 and 3 were inactive as antagonist for mGluRs, but 2 showed weak agonistic activity for GluR6 in contrast to that reported by Kemp and co-workers.

  DOI：

  10.1016/s0960-894x(98)00409-0
• 作为产物：
  描述：

  (2R,4S)-3-Benzoyl-4-(3-benzyloxy-benzyl)-4-methyl-2-phenyl-oxazolidin-5-one 在 palladium on activated charcoal 盐酸 、 4-二甲氨基吡啶 、 sodium hydroxide 、 四(三苯基膦)钯 、 氢气 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 42.75h， 生成 (S)-3-Methyl-3,4-dihydro-1H-isoquinoline-2,3,6-tricarboxylic acid 2-tert-butyl ester 3,6-dimethyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of two analogues of (S)-α-methyl-3-carboxyphenylalanine

  摘要：

  Two analogues 2, 3 of (S)-alpha-methyl-3-carboxylphenylalanine 1 were synthesized to test their activity for metabotropic glutamate receptors (mGluRs). Both compounds 2 and 3 were inactive as antagonist for mGluRs, but 2 showed weak agonistic activity for GluR6 in contrast to that reported by Kemp and co-workers.

  DOI：

  10.1016/s0960-894x(98)00409-0