[2-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] benzoate | 956901-08-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: [2-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] benzoate
• CAS: 956901-08-9
• 化学式: C₁₆H₁₁ClO₃
• 分子量: 286.715
• InChiKey: WFXONNMTARCOEG-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [2-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] benzoate 在 盐酸羟胺 、 碳酸氢钠 作用下， 以 氯仿 为溶剂， 反应 0.5h， 生成 [2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl] benzoate
  参考文献：
  名称：

  Synthesis and biological evaluation of cinnamyl compounds as potent antitumor agents

  摘要：

  A series of cinnamyl compounds related to 2'-hydroxycinnamaldehyde were synthesized and their antitumor effects against human cancer cells evaluated. Hydroxylamine derivative 6 inhibited the growth of human cancer cells and human colon tumor xenograft in nude mice. Its antitumor effects belong to the induction of apoptosis and arresting cell cycle at G(2)/M phase, which is confirmed by detection of apoptosis markers and cell cycle analysis. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.033
• 作为产物：
  描述：

  Benzoic acid 2-((E)-2-carboxy-vinyl)-phenyl ester 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 2.0h， 生成 [2-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] benzoate
  参考文献：
  名称：

  Synthesis and biological evaluation of cinnamyl compounds as potent antitumor agents

  摘要：

  A series of cinnamyl compounds related to 2'-hydroxycinnamaldehyde were synthesized and their antitumor effects against human cancer cells evaluated. Hydroxylamine derivative 6 inhibited the growth of human cancer cells and human colon tumor xenograft in nude mice. Its antitumor effects belong to the induction of apoptosis and arresting cell cycle at G(2)/M phase, which is confirmed by detection of apoptosis markers and cell cycle analysis. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.033

文献信息

• Synthesis and biological evaluation of cinnamyl compounds as potent antitumor agents
  作者：Dae-Seop Shin、Jiin Kim、Dong Cho Han、Kwang-Hee Son、Chang Woo Lee、Hwan-Mook Kim、Su Hyung Hong、Byoung-Mog Kwon

  DOI：10.1016/j.bmcl.2007.07.033

  日期：2007.10

  A series of cinnamyl compounds related to 2'-hydroxycinnamaldehyde were synthesized and their antitumor effects against human cancer cells evaluated. Hydroxylamine derivative 6 inhibited the growth of human cancer cells and human colon tumor xenograft in nude mice. Its antitumor effects belong to the induction of apoptosis and arresting cell cycle at G(2)/M phase, which is confirmed by detection of apoptosis markers and cell cycle analysis. (C) 2007 Elsevier Ltd. All rights reserved.