tert-butyl cyclohex-2-enecarboxylate | 22635-19-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl cyclohex-2-enecarboxylate
• 英文别名: Tert-butyl cyclohex-2-ene-1-carboxylate；tert-butyl cyclohex-2-ene-1-carboxylate
• CAS: 22635-19-4
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.263
• InChiKey: DPMBYNZUQXBRQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-butyl cyclohex-2-enecarboxylate 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以42%的产率得到tert-butyl trans-2,3-epoxycyclohexanecarboxylate
  参考文献：
  名称：

  Synthesis and biological evaluation of cyclic nitrogen mustards based on carnitine framework

  摘要：

  Two series of cyclic nitrogen mustards structurally related to L-carnitine have been prepared. The cytotoxic activity of these compounds was evaluated by using Chlorambucil as a reference. In accordance with earlier report, the cytotoxicity is in direct correlation with the lipophilicity of the introduced alkyl chains. Among the cyclic nitrogen mustards synthesized, the most cytotoxic compounds were the one acylated with a palmitoyl side chain, which showed activities comparable to that of Chlorambucil. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.003
• 作为产物：
  描述：

  环己-2-烯-1-羧酸 、 异丁烯 在 硫酸 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到tert-butyl cyclohex-2-enecarboxylate
  参考文献：
  名称：

  Synthesis and biological evaluation of cyclic nitrogen mustards based on carnitine framework

  摘要：

  Two series of cyclic nitrogen mustards structurally related to L-carnitine have been prepared. The cytotoxic activity of these compounds was evaluated by using Chlorambucil as a reference. In accordance with earlier report, the cytotoxicity is in direct correlation with the lipophilicity of the introduced alkyl chains. Among the cyclic nitrogen mustards synthesized, the most cytotoxic compounds were the one acylated with a palmitoyl side chain, which showed activities comparable to that of Chlorambucil. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.003

文献信息

• Synthesis and biological evaluation of cyclic nitrogen mustards based on carnitine framework
  作者：Simon Leiris、Marc Lucas、Arnaud Dupuy d’Angeac、Alain Morère

  DOI：10.1016/j.ejmech.2010.06.003

  日期：2010.9

  Two series of cyclic nitrogen mustards structurally related to L-carnitine have been prepared. The cytotoxic activity of these compounds was evaluated by using Chlorambucil as a reference. In accordance with earlier report, the cytotoxicity is in direct correlation with the lipophilicity of the introduced alkyl chains. Among the cyclic nitrogen mustards synthesized, the most cytotoxic compounds were the one acylated with a palmitoyl side chain, which showed activities comparable to that of Chlorambucil. (C) 2010 Elsevier Masson SAS. All rights reserved.