butyl hydrogen (1S,2S)-cyclohex-4-ene-1,2-dicarboxylate | 1174658-94-6

• 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: butyl hydrogen (1S,2S)-cyclohex-4-ene-1,2-dicarboxylate
• 英文别名: Butyl hydrogen (1s,2s)-cyclohex-4-ene-1,2-di-carboxylate；(1S,6S)-6-butoxycarbonylcyclohex-3-ene-1-carboxylic acid
• CAS: 1174658-94-6
• 化学式: C₁₂H₁₈O₄
• 分子量: 226.273
• InChiKey: INXJQMMKZOVSFB-UWVGGRQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (3-butyloxycarbonyl)acrylic acid 、 1,3-丁二烯 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 butyl hydrogen (1S,2S)-cyclohex-4-ene-1,2-dicarboxylate 、 butyl hydrogen (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate
  参考文献：
  名称：

  环己-4-烯-1,2-二羧酸与双环[2.2.1]-庚-5-烯-2,3-二羧酸衍生的手性单酯的合成与应用

  摘要：

  Optically active alkyl and cycloalkyl hydrogen cyclohex-4-ene-1,2- and bicyclo[2.2.1]hept-5-ene- 2,3-dicarboxylates were synthesized by asymmetric Diels-Alder reactions in the presence of chiral catalyst. The cycloadducts were found to possess antimicrobial activity.

  DOI：

  10.1134/s1070428008120051

文献信息

• Synthesis and application of chiral monoesters derived from cyclohex-4-ene-1,2-dicarboxylic acid and bicyclo[2.2.1]-hept-5-ene-2,3-dicarboxylic acid
  作者：E. G. Mamedov、A. G. Gasanov、I. G. Ayubov、R. Z. Babaeva、Kh. I. Gasanov

  DOI：10.1134/s1070428008120051

  日期：2008.12

  Optically active alkyl and cycloalkyl hydrogen cyclohex-4-ene-1,2- and bicyclo[2.2.1]hept-5-ene- 2,3-dicarboxylates were synthesized by asymmetric Diels-Alder reactions in the presence of chiral catalyst. The cycloadducts were found to possess antimicrobial activity.