1-(4-chlorophenyl)-3-[(E)-2-cyano-3-(3,4-dichlorophenyl)prop-2-enyl]urea | 903563-99-5

• 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: 1-(4-chlorophenyl)-3-[(E)-2-cyano-3-(3,4-dichlorophenyl)prop-2-enyl]urea
• CAS: 903563-99-5
• 化学式: C₁₇H₁₂Cl₃N₃O
• 分子量: 380.661
• InChiKey: HQCVBLBVLDDKQL-GHXNOFRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  64.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-chlorophenyl)-3-[(E)-2-cyano-3-(3,4-dichlorophenyl)prop-2-enyl]urea 以57%的产率得到
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of ureides of Baylis–Hillman derivatives

  摘要：

  The synthesis of several 1-(2-cyano-3-aryl-allyl)-3-aryl-urea(thiourea) constructed from the reaction between allylamines generated from Baylis-Hillman acetates and substituted isocyanates and isothiocyanates has been described. Further, their cyclization in the presence of a base led to the formation of 5-arylmethyl-4-imino-3-aryl-3,4-dihydro-1H-pyrimidin-2-ones. All compounds were tested for their antibacterial activity. Few of the compounds showed superior activity or were equipotent to the standard antibacterial agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.020
• 作为产物：
  描述：

  acetic acid 2-cyano-1-(3,4-dichloro-phenyl)-allyl ester 在 氨 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 生成 1-(4-chlorophenyl)-3-[(E)-2-cyano-3-(3,4-dichlorophenyl)prop-2-enyl]urea
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of ureides of Baylis–Hillman derivatives

  摘要：

  The synthesis of several 1-(2-cyano-3-aryl-allyl)-3-aryl-urea(thiourea) constructed from the reaction between allylamines generated from Baylis-Hillman acetates and substituted isocyanates and isothiocyanates has been described. Further, their cyclization in the presence of a base led to the formation of 5-arylmethyl-4-imino-3-aryl-3,4-dihydro-1H-pyrimidin-2-ones. All compounds were tested for their antibacterial activity. Few of the compounds showed superior activity or were equipotent to the standard antibacterial agents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.020

文献信息

• Synthesis and antibacterial evaluation of ureides of Baylis–Hillman derivatives
  作者：Somnath Nag、Richa Pathak、Manish Kumar、P.K. Shukla、Sanjay Batra

  DOI：10.1016/j.bmcl.2006.04.020

  日期：2006.7

  The synthesis of several 1-(2-cyano-3-aryl-allyl)-3-aryl-urea(thiourea) constructed from the reaction between allylamines generated from Baylis-Hillman acetates and substituted isocyanates and isothiocyanates has been described. Further, their cyclization in the presence of a base led to the formation of 5-arylmethyl-4-imino-3-aryl-3,4-dihydro-1H-pyrimidin-2-ones. All compounds were tested for their antibacterial activity. Few of the compounds showed superior activity or were equipotent to the standard antibacterial agents. (c) 2006 Elsevier Ltd. All rights reserved.