tert-butyl (E)-[4-(3-methylthio-prop-2-enoylamino)-butyl]-carbamate | 474642-01-8

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: tert-butyl (E)-[4-(3-methylthio-prop-2-enoylamino)-butyl]-carbamate
• 英文别名: tert-butyl N-[4-[[(E)-3-methylsulfanylprop-2-enoyl]amino]butyl]carbamate
• CAS: 474642-01-8
• 化学式: C₁₃H₂₄N₂O₃S
• 分子量: 288.411
• InChiKey: BOFAZQUMNFNPTA-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  19.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  67.43
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (E)-[4-(3-methylthio-prop-2-enoylamino)-butyl]-carbamate 在 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 0.75h， 生成 aglaithioduline
  参考文献：
  名称：

  Synthesis and structure elucidation of open-chained putrescine-bisamides from Aglaia species

  摘要：

  The structures of the eight recently described open-chained putrescine bisamide alkaloids secoodorine (1), aglaithioduline (3), aglaiduline (4), aglaidithioduline (5), grandiamide B (13), grandiamide C (14), pyramidatine (20), and secopiriferine (22), which were isolated from different Aglaia species, have been verified by synthesis. In addition to that, the published structure 2 for hemileptagline had to be revised, and for secoodorine (1) the absolute configuration could be established. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00751-2
• 作为产物：
  描述：

  N-叔丁氧羰基-1,4-丁二胺 、 (E)-3-methylsulfanylprop-2-enoyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以0.14 g的产率得到tert-butyl (E)-[4-(3-methylthio-prop-2-enoylamino)-butyl]-carbamate
  参考文献：
  名称：

  Synthesis and structure elucidation of open-chained putrescine-bisamides from Aglaia species

  摘要：

  The structures of the eight recently described open-chained putrescine bisamide alkaloids secoodorine (1), aglaithioduline (3), aglaiduline (4), aglaidithioduline (5), grandiamide B (13), grandiamide C (14), pyramidatine (20), and secopiriferine (22), which were isolated from different Aglaia species, have been verified by synthesis. In addition to that, the published structure 2 for hemileptagline had to be revised, and for secoodorine (1) the absolute configuration could be established. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00751-2