heptanediol dibenzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: heptanediol dibenzoate
• 英文别名: 1-Benzoyloxyheptyl benzoate；1-benzoyloxyheptyl benzoate
• 化学式: C₂₁H₂₄O₄
• 分子量: 340.419
• InChiKey: JANPNQWRXRSVJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  庚醛 、 苯甲酰氯 在 三甲基氯硅烷 、 锌 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成 benzoic acid-(1-chloro-heptyl ester) 、 heptanediol dibenzoate
  参考文献：
  名称：

  Zinc-metal promoted selective α-haloacylation and gem-bisacylation of alkyl aldehydes in the presence of chlorotrimethylsilane

  摘要：

  Treatment of a mixture of alkyl aldehydes (1) with acid chlorides (2) in the presence of zinc metal powder and a catalytic amount of chlorotrimethylsilane (TMSCl) in dichloromethane brought about highly facile and effective coupling to give selectively the corresponding alpha-haloacylation and gem-bisacylation products, alpha-haloalkyl carboxylates and 1,1-dicarboxylates (acylals), in good to excellent yields. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.02.159

文献信息

• Zinc-metal promoted selective α-haloacylation and gem-bisacylation of alkyl aldehydes in the presence of chlorotrimethylsilane
  作者：Yoshio Ishino、Masatoshi Mihara、Takeshi Takeuchi、Masanobu Takemoto

  DOI：10.1016/j.tetlet.2004.02.159

  日期：2004.4

  Treatment of a mixture of alkyl aldehydes (1) with acid chlorides (2) in the presence of zinc metal powder and a catalytic amount of chlorotrimethylsilane (TMSCl) in dichloromethane brought about highly facile and effective coupling to give selectively the corresponding alpha-haloacylation and gem-bisacylation products, alpha-haloalkyl carboxylates and 1,1-dicarboxylates (acylals), in good to excellent yields. (C) 2004 Elsevier Ltd. All rights reserved.