Ethyl 6-ethoxycarbothioylsulfanyl-7-[(3-ethoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxoheptanoate | 462099-88-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: Ethyl 6-ethoxycarbothioylsulfanyl-7-[(3-ethoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxoheptanoate
• CAS: 462099-88-3
• 化学式: C₂₂H₃₇NO₈S₂
• 分子量: 507.67
• InChiKey: HJRMJNNEBYYWQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  20
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  166
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  Ethyl 6-ethoxycarbothioylsulfanyl-7-[(3-ethoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxoheptanoate 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 苯 为溶剂， 以81%的产率得到Ethyl 7-[(3-ethoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxoheptanoate
  参考文献：
  名称：

  Efficient construction of polycyclic alkaloid synthetic precursors by a xanthate free radical addition and Mannich cyclisation cascade

  摘要：

  Routes to synthetic precursors of Lupin and Eburna alkaloids have been developed. featuring the rapid construction of highly functionalised intermediates by the intermolecular radical coupling of xanthates and alkenes. followed by acid-mediated condensation-cyclisation. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00835-3
• 作为产物：
  描述：

  4-氯乙酰乙酸乙酯 在 过氧化双月桂酰 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 2.0h， 生成 Ethyl 6-ethoxycarbothioylsulfanyl-7-[(3-ethoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-oxoheptanoate
  参考文献：
  名称：

  Efficient construction of polycyclic alkaloid synthetic precursors by a xanthate free radical addition and Mannich cyclisation cascade

  摘要：

  Routes to synthetic precursors of Lupin and Eburna alkaloids have been developed. featuring the rapid construction of highly functionalised intermediates by the intermolecular radical coupling of xanthates and alkenes. followed by acid-mediated condensation-cyclisation. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00835-3

文献信息

• Efficient construction of polycyclic alkaloid synthetic precursors by a xanthate free radical addition and Mannich cyclisation cascade
  作者：Edward W. Tate、Samir Z. Zard

  DOI：10.1016/s0040-4039(02)00835-3

  日期：2002.5

  Routes to synthetic precursors of Lupin and Eburna alkaloids have been developed. featuring the rapid construction of highly functionalised intermediates by the intermolecular radical coupling of xanthates and alkenes. followed by acid-mediated condensation-cyclisation. (C) 2002 Elsevier Science Ltd. All rights reserved.