1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-enylmethyl monochloroacetate

• 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: 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-enylmethyl monochloroacetate
• 英文别名: (+/-)-chloro-acetic acid-(1,4,5,6,7,7-hexachloro-norborn-5-ene-2endo-ylmethyl ester)；(+/-)-Chlor-essigsaeure-(1,4,5,6,7,7-hexachlor-norborn-5-en-2endo-ylmethylester)；[(1R,2S,4S)-1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-chloroacetate
• 化学式: C₁₀H₇Cl₇O₂
• 分子量: 407.335
• InChiKey: SOPGEFPQLVBJHN-RMASGNQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  氯乙酸丙烯酯 、 六氯环戊二烯 反应 12.0h， 以85.1%的产率得到1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-enylmethyl monochloroacetate
  参考文献：
  名称：

  Synthesis of hexachlorobicyclo[2.2.1]hept-5-enylmethyl haloacetates

  摘要：

  The possibility of preparing hexachlorobicyclo[2.2.1]hept-5-enylmethyl haloacetates by reactions of hexachlorocyclopentadiene with allyl haloacetates was examined. The optimal conditions for preparing the esters were found. The structures of the compounds prepared were proved by IR and H-1 NMR spectroscopy.

  DOI：

  10.1134/s1070427209020220

文献信息

• Kukalenko; Melnikow, Zhurnal Obshchei Khimii, 1958, vol. 28, p. 154,156
  作者：Kukalenko、Melnikow

  DOI：——

  日期：——
• Synthesis of hexachlorobicyclo[2.2.1]hept-5-enylmethyl haloacetates
  作者：E. G. Mamedbeili (Mamedov)、T. G. Kyazimova、Kh. I. Gasanov、O. B. Abdiev、I. M. Mamedova

  DOI：10.1134/s1070427209020220

  日期：2009.2

  The possibility of preparing hexachlorobicyclo[2.2.1]hept-5-enylmethyl haloacetates by reactions of hexachlorocyclopentadiene with allyl haloacetates was examined. The optimal conditions for preparing the esters were found. The structures of the compounds prepared were proved by IR and H-1 NMR spectroscopy.