1,3-二氯-2-丙基丁酸酯 | 17304-48-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 1,3-二氯-2-丙基丁酸酯
• 英文名称: 2,2'-dichloropropylbutyrate
• 英文别名: 1,3-dichloro-2-propyl butanoate；butyric acid-(β,β'-dichloro-isopropyl ester)；Buttersaeure-(β,β'-dichlor-isopropylester)；(β.β'-Dichlor-isopropyl)-ester；1,3-Dichloropropan-2-yl butanoate
• CAS: 17304-48-2
• 化学式: C₇H₁₂Cl₂O₂
• 分子量: 199.077
• InChiKey: CQXQGTMPQPIRLJ-UHFFFAOYSA-N

物化性质

• 沸点：
  223.5 °C
• 密度：
  1.1796 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  1,3-二氯-2-丙基丁酸酯 、 丁酮 在 sodium iodide 作用下， 反应 48.0h， 以86%的产率得到丁酸烯丙酯
  参考文献：
  名称：

  Synthesis of Allyl Esters of Fatty Acids and Their Ovicidal Effect on Cydia pomonella (L.)

  摘要：

  Eight allyl esters of fatty acids were synthesized in moderate to high yields with a novel two-step procedure using glycerol as a starting material. The two-step methodology avoids the use of allyl alcohol. The first step consisted of heating at 80 degrees C for 48 h a 2:1:5 mmol mixture of glycerol, a fatty acid, and chlorotrimethylsilane in a solvent-free medium. The crude compound was then dissolved in butanone and heated at 115 degrees C in the presence of Nal. A tandem Finkelstein rearrangement-elimination reaction occurs, producing the corresponding allyl ester. The activity of these esters against Cydia pomonella (L.) (Lepidoptera: Tortricidae) eggs was tested in the laboratory by topical application of one 0.1 mu L drop. All of the compounds showed a concentration-mortality response and caused 100% mortality at the highest concentration tested (10 mg/mL). There was an inverse relationship between the alkyl chain length and the ovicidal activity of the allyl ester; the LC50 and the LC90 of the two compounds that have the longer alkyl chains were significantly higher than those of the rest of the compounds. The ovicidal and IGR activities of this kind of compound appear to be unprecedented.

  DOI：

  10.1021/jf900097j
• 作为产物：
  描述：

  1,3-二氯丙醇 、 丁酰氯 生成 1,3-二氯-2-丙基丁酸酯
  参考文献：
  名称：

  Whitby, Journal of the Chemical Society, 1926, p. 1460

  摘要：

  DOI：

文献信息

• Cobalt(II)chloride catalysed cleavage of ethers with acyl halides: Scope and mechanism
  作者：Javed Iqbal、Rajiv Ranjan Srivastava

  DOI：10.1016/s0040-4020(01)96041-7

  日期：1991.5

  Cobalt (II) chloride in acetonitrile catalyses the cleavage of a wide variety of ethers with acyl halides under mild conditions to give the corresponding esters in good yields. Acyclic aliphatic ethers are cleaved to the corresponding ester and chlorides whereas the cyclic aliphatic ethers give rise to the ω-chloroesters. The benzyl ethers can be converted to the corresponding esters along with the

  乙腈中的氯化钴（II）在温和的条件下催化多种醚与酰基卤的裂解，从而以高收率得到相应的酯。无环脂族醚裂解成相应的酯和氯化物，而环脂族醚产生ω-氯代酯。苄基醚可与苄基氯和苄基乙酰胺一起形成相应的酯。烯丙基和苄基醚裂解的比较研究表明，苄基醚可以在烯丙基醚存在下选择性裂解。可以以高度区域选择性的方式将环氧乙烷酮裂解为相应的β-氯代酯。乙烯基醚经历sp 2在这些条件下的-杂化的碳-氧键裂解。基于产物分析，讨论了涉及电子转移，随后进行O-酰化以及氯离子对S N 1或S N 2的攻击的机理。
• Process of stripping a liquid medium
  申请人：Solvay SA

  公开号：EP2708525A1

  公开（公告）日：2014-03-19

  Process of stripping a liquid medium containing at least one oligomer of glycerol, wherein a stripping agent comprising hydrogen chloride is used at a temperature higher than 120 °C.

  对含有至少一种甘油低聚物的液体介质进行汽提的工艺，其中使用的汽提剂包括氯化氢，温度高于 120 ℃。
• A Study of the Mixed Tischtschenko Reaction
  作者：I. Lin、Allan R. Day

  DOI：10.1021/ja01140a041

  日期：1952.10
• Lukasiak, 1934, vol. 12, p. 1
  作者：Lukasiak

  DOI：——

  日期：——
• Truchot, Justus Liebigs Annalen der Chemie, 1866, vol. 138, p. 298
  作者：Truchot

  DOI：——

  日期：——