2-(1,3-benzodioxol-5-yl)-N-[(1R,4R,5R)-2-chloro-5-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-yl]-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylacetamide | 1072090-23-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-(1,3-benzodioxol-5-yl)-N-[(1R,4R,5R)-2-chloro-5-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-yl]-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylacetamide
• CAS: 1072090-23-3
• 化学式: C₃₂H₃₄ClNO₇S
• 分子量: 612.143
• InChiKey: YGQZCQPMRJEHKH-ACDFTUFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-(1,3-benzodioxol-5-yl)-N-[(1R,4R,5R)-2-chloro-5-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-yl]-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylacetamide 在 偶氮二异丁腈 、 三正丁基氢锡 、 六正丁基二锡 作用下， 以 苯 为溶剂， 反应 3.0h， 以95%的产率得到
  参考文献：
  名称：

  A Chemoenzymatic Total Synthesis of the Structure Assigned to the Alkaloid (+)-Montabuphine

  摘要：

  An enantioselective synthesis of the structure, 3, assigned to the alkaloid (+)-montabuphine has been achieved using the readily available metabolite 4 as starting material. A comparison of the physical and spectral data recorded on compound 3 with those reported for (+)-montabuphine suggests that they are different compounds.

  DOI：

  10.1021/ol801815k
• 作为产物：
  描述：

  、 2-(3,4-Methylenedioxyphenyl)-2-(phenylthio)acetic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以77%的产率得到2-(1,3-benzodioxol-5-yl)-N-[(1R,4R,5R)-2-chloro-5-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-yl]-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylacetamide
  参考文献：
  名称：

  A Chemoenzymatic Total Synthesis of the Structure Assigned to the Alkaloid (+)-Montabuphine

  摘要：

  An enantioselective synthesis of the structure, 3, assigned to the alkaloid (+)-montabuphine has been achieved using the readily available metabolite 4 as starting material. A comparison of the physical and spectral data recorded on compound 3 with those reported for (+)-montabuphine suggests that they are different compounds.

  DOI：

  10.1021/ol801815k

文献信息

• A Chemoenzymatic Total Synthesis of the Structure Assigned to the Alkaloid (+)-Montabuphine
  作者：Maria Matveenko、Martin G. Banwell、Anthony C. Willis

  DOI：10.1021/ol801815k

  日期：2008.10.16

  An enantioselective synthesis of the structure, 3, assigned to the alkaloid (+)-montabuphine has been achieved using the readily available metabolite 4 as starting material. A comparison of the physical and spectral data recorded on compound 3 with those reported for (+)-montabuphine suggests that they are different compounds.