(1R,13R,15R,16R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-16-ol | 1072276-54-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: (1R,13R,15R,16R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-16-ol
• CAS: 1072276-54-0
• 化学式: C₁₇H₁₉NO₄
• 分子量: 301.342
• InChiKey: ZSCIOAUFGUNSQT-KBUPBQIOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1R,13R,15R,16R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-16-ol 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成
  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：

  (6S,6aR,8R,9R,11R)-8-methoxy-5,6a,7,8,9,11-hexahydro-6,11-methano[1,3]dioxolo[4',5':4,5]benzo[1,2-e]benzo[b]azepin-9-yl formate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以83%的产率得到(1R,13R,15R,16R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-16-ol
  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.