(R)-7-Hydroxymethyl-6-((R)-2-methoxy-1-phenyl-ethyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-7-carboxylic acid | 1027423-58-0

• 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: (R)-7-Hydroxymethyl-6-((R)-2-methoxy-1-phenyl-ethyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-7-carboxylic acid
• 英文别名: (7R)-7-(hydroxymethyl)-6-[(1R)-2-methoxy-1-phenylethyl]-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-7-carboxylic acid
• CAS: 1027423-58-0
• 化学式: C₂₁H₂₃NO₆
• 分子量: 385.417
• InChiKey: OSCRWSSTRWRXPU-LAUBAEHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  88.5
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (R)-7-Hydroxymethyl-6-((R)-2-methoxy-1-phenyl-ethyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-7-carboxylic acid 在 palladium dihydroxide 氢气 作用下， 以 乙醇 、 水 为溶剂， 生成 (R)-7-Hydroxymethyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-7-carboxylic acid
  参考文献：
  名称：

  Asymmetric synthesis of quaternary tetrahydroisoquinoline-3-carboxylic acid derivatives

  摘要：

  A new route towards the asymmetric preparation of quaternary 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid derivatives has been developed. The key step involves an intramolecular Pictet-Spengler reaction of an oxazolidino ester. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00075-2
• 作为产物：
  描述：

  (R)-4-Benzo[1,3]dioxol-5-ylmethyl-3-((R)-2-methoxy-1-phenyl-ethyl)-oxazolidine-4-carboxylic acid tert-butyl ester 在 四氯化钛 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-7-Hydroxymethyl-6-((R)-2-methoxy-1-phenyl-ethyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline-7-carboxylic acid
  参考文献：
  名称：

  Asymmetric synthesis of quaternary tetrahydroisoquinoline-3-carboxylic acid derivatives

  摘要：

  A new route towards the asymmetric preparation of quaternary 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid derivatives has been developed. The key step involves an intramolecular Pictet-Spengler reaction of an oxazolidino ester. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00075-2