Acetic acid 1-(3,4-dimethoxy-phenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-6-yl ester | 152561-03-0

• 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: Acetic acid 1-(3,4-dimethoxy-phenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-6-yl ester
• CAS: 152561-03-0
• 化学式: C₂₁H₂₅NO₅
• 分子量: 371.433
• InChiKey: NWIOWRLMGSXKHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  57.23
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Acetic acid 1-(3,4-dimethoxy-phenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-6-yl ester 生成 、
  参考文献：
  名称：

  Enzymatic resolution of acylates of prochiral phenolic 1-aryl- and 1-arylalkyl-1,2,3,4-tetrahydroisoquinolinols, which possess a guaiacol-type moiety, by use of immobilized lipase in organic solvent

  摘要：

  Enzymatic resolution of acylates of prochiral phenolic 1-aryl- and 1-arylalkyl-1,2,3,4-tetrahydroisoquinolinols, which possess a guaiacol-type moiety by use of lipase immobilized with celite in water-saturated organic solvent gave the corresponding acylates and phenols in moderate optical yields.

  DOI：

  10.1016/s0957-4166(00)80135-4
• 作为产物：
  描述：

  1-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-3,4-dihydro-isoquinoline 在 吡啶 、 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 氢气 、 甲烷 、 palladium dichloride 作用下， 以 甲醇 为溶剂， 反应 10.5h， 生成 Acetic acid 1-(3,4-dimethoxy-phenyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-6-yl ester
  参考文献：
  名称：

  Enzymatic resolution of acylates of prochiral phenolic 1-aryl- and 1-arylalkyl-1,2,3,4-tetrahydroisoquinolinols, which possess a guaiacol-type moiety, by use of immobilized lipase in organic solvent

  摘要：

  Enzymatic resolution of acylates of prochiral phenolic 1-aryl- and 1-arylalkyl-1,2,3,4-tetrahydroisoquinolinols, which possess a guaiacol-type moiety by use of lipase immobilized with celite in water-saturated organic solvent gave the corresponding acylates and phenols in moderate optical yields.

  DOI：

  10.1016/s0957-4166(00)80135-4