(E)-2-[2-(4'-methoxyphenyl)-3-(3'',4'',5'''-trimethoxyphenyl)allyl]isoindole-1,3-dione | 858645-77-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-2-[2-(4'-methoxyphenyl)-3-(3'',4'',5'''-trimethoxyphenyl)allyl]isoindole-1,3-dione
• 英文别名: 2-[(E)-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]isoindole-1,3-dione
• CAS: 858645-77-9
• 化学式: C₂₇H₂₅NO₆
• 分子量: 459.499
• InChiKey: HEXIECYURFAKFD-UYRXBGFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  74.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (E)-2-[2-(4'-methoxyphenyl)-3-(3'',4'',5'''-trimethoxyphenyl)allyl]isoindole-1,3-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 1.25h， 以71%的产率得到(E)-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
  参考文献：
  名称：

  Synthesis and evaluation of double bond substituted combretastatins

  摘要：

  A series of cornbretastatins substituted with epoxides, amides and small alkyl groups has been synthesised and evaluated for cytotoxicity and their ability to inhibit the assembly of tubulin. The methyl and ethyl substituted phenols 36, 44 have shown potent antimitotic effects whilst exhibiting reduced cytotoxicity. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.12.008
• 作为产物：
  描述：

  (E)-2-(4'-methoxyphenyl)-3-(3'',4'',5'''-trimethoxyphenyl)acrylic acid 在 lithium aluminium tetrahydride 、 偶氮二甲酸二异丙酯 、 硫酸 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 (E)-2-[2-(4'-methoxyphenyl)-3-(3'',4'',5'''-trimethoxyphenyl)allyl]isoindole-1,3-dione
  参考文献：
  名称：

  Synthesis and evaluation of double bond substituted combretastatins

  摘要：

  A series of cornbretastatins substituted with epoxides, amides and small alkyl groups has been synthesised and evaluated for cytotoxicity and their ability to inhibit the assembly of tubulin. The methyl and ethyl substituted phenols 36, 44 have shown potent antimitotic effects whilst exhibiting reduced cytotoxicity. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.12.008

文献信息

• Synthesis and evaluation of double bond substituted combretastatins
  作者：John A. Hadfield、Keira Gaukroger、Nicholas Hirst、Anna P. Weston、Nicholas J. Lawrence、Alan T. McGown

  DOI：10.1016/j.ejmech.2004.12.008

  日期：2005.6

  A series of cornbretastatins substituted with epoxides, amides and small alkyl groups has been synthesised and evaluated for cytotoxicity and their ability to inhibit the assembly of tubulin. The methyl and ethyl substituted phenols 36, 44 have shown potent antimitotic effects whilst exhibiting reduced cytotoxicity. (c) 2005 Elsevier SAS. All rights reserved.