(3E,10E)-(R)-12-[5-(tert-Butyl-dimethyl-silanyloxy)-2-(2-dimethylamino-ethyl)-4-methoxy-phenyl]-2-hydroxy-2,6,10-trimethyl-dodeca-3,10-dien-5-one | 143654-14-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3E,10E)-(R)-12-[5-(tert-Butyl-dimethyl-silanyloxy)-2-(2-dimethylamino-ethyl)-4-methoxy-phenyl]-2-hydroxy-2,6,10-trimethyl-dodeca-3,10-dien-5-one
• CAS: 143654-14-2
• 化学式: C₃₂H₅₅NO₄Si
• 分子量: 545.879
• InChiKey: ACPIWVWZJMEVHZ-DCLJYCKTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.37
• 重原子数：
  38.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  59.0
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (3E,10E)-(R)-12-[5-(tert-Butyl-dimethyl-silanyloxy)-2-(2-dimethylamino-ethyl)-4-methoxy-phenyl]-2-hydroxy-2,6,10-trimethyl-dodeca-3,10-dien-5-one 在 溶剂黄146 作用下， 反应 18.0h， 生成 (R)-debromoneoaplaminone
  参考文献：
  名称：

  Absolute stereochemistry of aplaminone and neoaplaminone, cytotoxic bromodopamines from a marine mollusc: enantioselective synthesis of debromoneoaplaminone

  摘要：

  The absolute stereochemistry of potent cytotoxic bromodopamines, aplaminone and neoaplaminone has been determined by means of enantioselective synthesis of debromoneoaplaminone, a derivative of aplaminone and neoaplaminone.

  DOI：

  10.1016/s0040-4039(00)74687-9
• 作为产物：
  描述：

  (3E,10E)-(R)-12-[5-(tert-Butyl-dimethyl-silanyloxy)-2-(2-dimethylamino-ethyl)-4-methoxy-phenyl]-2,6,10-trimethyl-dodeca-3,10-diene-2,5-diol 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 生成 (3E,10E)-(R)-12-[5-(tert-Butyl-dimethyl-silanyloxy)-2-(2-dimethylamino-ethyl)-4-methoxy-phenyl]-2-hydroxy-2,6,10-trimethyl-dodeca-3,10-dien-5-one
  参考文献：
  名称：

  Absolute stereochemistry of aplaminone and neoaplaminone, cytotoxic bromodopamines from a marine mollusc: enantioselective synthesis of debromoneoaplaminone

  摘要：

  The absolute stereochemistry of potent cytotoxic bromodopamines, aplaminone and neoaplaminone has been determined by means of enantioselective synthesis of debromoneoaplaminone, a derivative of aplaminone and neoaplaminone.

  DOI：

  10.1016/s0040-4039(00)74687-9