(E)-3-(3,4-dichlorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-3-(3,4-dichlorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
• 化学式: C₁₉H₁₇Cl₂NO₂
• 分子量: 362.255
• InChiKey: WXYXHWJDTMPNTP-KRXBUXKQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-3-氨基丁-2-烯腈 、 (E)-3-(3,4-dichlorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 4-(3,4-Dichlorophenyl)-2-methyl-6-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
  参考文献：
  名称：

  Automated parallel synthesis of chalcone-based screening libraries

  摘要：

  Using a variety of condensation and cyclization reactions, nine combinatorial arrays of individual chalcone derivatives, over 74,000 in all, were produced in 50 mu M quantities. The ease with which a broad range of diversity can be fabricated around a single molecular motif using automated parallel solution phase synthesis has been demonstrated. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00137-9
• 作为产物：
  描述：

  4-(4-吗啉基)苯乙酮 、 3,4-二氯苯甲醛 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 (E)-3-(3,4-dichlorophenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
  参考文献：
  名称：

  Automated parallel synthesis of chalcone-based screening libraries

  摘要：

  Using a variety of condensation and cyclization reactions, nine combinatorial arrays of individual chalcone derivatives, over 74,000 in all, were produced in 50 mu M quantities. The ease with which a broad range of diversity can be fabricated around a single molecular motif using automated parallel solution phase synthesis has been demonstrated. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00137-9

文献信息

• Automated parallel synthesis of chalcone-based screening libraries
  作者：David G. Powers、David S. Casebier、Demosthenes Fokas、William J. Ryan、Jonah R. Troth、David L. Coffen

  DOI：10.1016/s0040-4020(98)00137-9

  日期：1998.4

  Using a variety of condensation and cyclization reactions, nine combinatorial arrays of individual chalcone derivatives, over 74,000 in all, were produced in 50 mu M quantities. The ease with which a broad range of diversity can be fabricated around a single molecular motif using automated parallel solution phase synthesis has been demonstrated. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.