O-acetyl-cis-ferulic acid | 147677-05-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: O-acetyl-cis-ferulic acid
• 英文别名: (Z)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acid
• CAS: 147677-05-2
• 化学式: C₁₂H₁₂O₅
• 分子量: 236.224
• InChiKey: IHKNVZISLLDMOR-XQRVVYSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-deacetylipecoside hexaacetate 、 O-acetyl-cis-ferulic acid 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.75h， 以12 mg的产率得到cis-cephaeloside heptaacetate
  参考文献：
  名称：

  Four tetrahydroisoquinoline-monoterpene glucosides from Cephaelis ipecacuanha

  摘要：

  Four new tetrahydroisoquinoline-monoterpene glucosides, trans-cephaeloside, cis-cephaeloside, 6-O-methyl-trans-cephaeloside and 6-O-methyl-cis-cephaeloside, have been isolated from the roots of Cephaelis ipecacuanha. Their structures have been elucidated on the basis of chemical and spectral data.

  DOI：

  10.1016/s0031-9422(00)95167-7
• 作为产物：
  描述：

  阿魏酸 在 吡啶 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 O-acetyl-cis-ferulic acid
  参考文献：
  名称：

  Four tetrahydroisoquinoline-monoterpene glucosides from Cephaelis ipecacuanha

  摘要：

  Four new tetrahydroisoquinoline-monoterpene glucosides, trans-cephaeloside, cis-cephaeloside, 6-O-methyl-trans-cephaeloside and 6-O-methyl-cis-cephaeloside, have been isolated from the roots of Cephaelis ipecacuanha. Their structures have been elucidated on the basis of chemical and spectral data.

  DOI：

  10.1016/s0031-9422(00)95167-7

文献信息

• Four tetrahydroisoquinoline-monoterpene glucosides from Cephaelis ipecacuanha
  作者：Naotaka Nagakura、Atsuko Itoh、Takao Tanahashi

  DOI：10.1016/s0031-9422(00)95167-7

  日期：1993.2

  Four new tetrahydroisoquinoline-monoterpene glucosides, trans-cephaeloside, cis-cephaeloside, 6-O-methyl-trans-cephaeloside and 6-O-methyl-cis-cephaeloside, have been isolated from the roots of Cephaelis ipecacuanha. Their structures have been elucidated on the basis of chemical and spectral data.