tert-butyl (1R,3S)-3-[(1R)-1-hydroxybut-3-enyl]-6,7-dimethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate | 1056885-03-0

• 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: tert-butyl (1R,3S)-3-[(1R)-1-hydroxybut-3-enyl]-6,7-dimethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 1056885-03-0
• 化学式: C₂₈H₃₇NO₆
• 分子量: 483.605
• InChiKey: PRUYFPJAVXQWPR-KMDXXIMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  77.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl (1R,3S)-3-[(1R)-1-hydroxybut-3-enyl]-6,7-dimethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以100%的产率得到
  参考文献：
  名称：

  RCM-mediated stereoselective synthesis of three novel tetrahydroisoquinoline tetracyclic core frameworks

  摘要：

  Three novel tetrahydroisoquinoline tetracyclic core frameworks were sterectselectively synthesized. The key steps included a ring-closing metathesis (RCM)-mediated cyclization and a subsequent intramolecular S(N)2 N(O)-substituted reaction. This simple method for tetracyclic core synthesis facilitates the further exploration of the chemical space of tetrahydroisoquinoline alkaloids. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.094
• 作为产物：
  描述：

  tert-butyl (1R,3S)-3-formyl-6,7-dimethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate 、 3-溴丙烯 在 氯化铵 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以100%的产率得到tert-butyl (1R,3S)-3-[(1R)-1-hydroxybut-3-enyl]-6,7-dimethoxy-1-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
  参考文献：
  名称：

  RCM-mediated stereoselective synthesis of three novel tetrahydroisoquinoline tetracyclic core frameworks

  摘要：

  Three novel tetrahydroisoquinoline tetracyclic core frameworks were sterectselectively synthesized. The key steps included a ring-closing metathesis (RCM)-mediated cyclization and a subsequent intramolecular S(N)2 N(O)-substituted reaction. This simple method for tetracyclic core synthesis facilitates the further exploration of the chemical space of tetrahydroisoquinoline alkaloids. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.094