5-(4-chlorophenyl)-4-pentynoic acid chloride | 1172131-52-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(4-chlorophenyl)-4-pentynoic acid chloride
• 英文别名: 5-(4-Chlorophenyl)pent-4-ynoyl chloride
• CAS: 1172131-52-0
• 化学式: C₁₁H₈Cl₂O
• 分子量: 227.09
• InChiKey: ATDJLDOYVLMFOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-(4-chlorophenyl)-4-pentynoic acid chloride 、 N'-benzyl-N-benzylidenebenzamidine 在 三正丁胺 作用下， 以 甲苯 为溶剂， 以42%的产率得到trans-3-benzyl-2,6-diphenyl-5-[3-(4-chlorophenyl)prop-2-ynyl]-5,6-dihydro-3H-pyrimidin-4-one
  参考文献：
  名称：

  Cycloaddition reactions of 1,3-diazabuta-1,3-dienes with alkynyl ketenes

  摘要：

  The cycloaddition reactions of 'all-carbon' 1,3-diazabuta-1,3-dienes with a few conjugated and un-conjugated alkynyl ketenes are described. The reactions provide some interesting azetidinones and dihydropyrimidinones bearing an alkynyl moiety. The regiochemistry of cycloadduct is related with the degree of conjugation of the alkynyl ketene. Moreover, two alternative approaches to 'all-carbon' 1,3-diazabuta-1,3-dienes are reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.04.041
• 作为产物：
  描述：

  5-(4-chlorophenyl)pent-4-ynoic acid 在 草酰氯 作用下， 以98%的产率得到5-(4-chlorophenyl)-4-pentynoic acid chloride
  参考文献：
  名称：

  Cycloaddition reactions of 1,3-diazabuta-1,3-dienes with alkynyl ketenes

  摘要：

  The cycloaddition reactions of 'all-carbon' 1,3-diazabuta-1,3-dienes with a few conjugated and un-conjugated alkynyl ketenes are described. The reactions provide some interesting azetidinones and dihydropyrimidinones bearing an alkynyl moiety. The regiochemistry of cycloadduct is related with the degree of conjugation of the alkynyl ketene. Moreover, two alternative approaches to 'all-carbon' 1,3-diazabuta-1,3-dienes are reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.04.041