acetic acid-(7,7-dichloro-hept-6-enyl ester) | 133455-76-2

• 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: acetic acid-(7,7-dichloro-hept-6-enyl ester)
• 英文别名: Essigsaeure-(7,7-dichlor-hept-6-enylester)；7,7-dichlorohept-6-enyl acetate
• CAS: 133455-76-2
• 化学式: C₉H₁₄Cl₂O₂
• 分子量: 225.115
• InChiKey: IVXSIZFNBXGOOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  13.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  1,1,1,7-四氯庚烷 、 potassium acetate 生成 acetic acid-(7,7-dichloro-hept-6-enyl ester)
  参考文献：
  名称：

  KRUGLOVA, I. V., IZV. AN CCCP. CEP. XIM.,(1990) N2, S. 2790-2793

  摘要：

  DOI：

文献信息

• Reaction of ?,?,?-trichloro- and ?,?,?,?-tetrachloroalkanes with alkali metal acylates in aprotic solvents
  作者：N. V. Kruglova

  DOI：10.1007/bf01184532

  日期：1990.12

  Polychloroalkanes and -alkenes R(CH2)nCl (R = CHCl2CH2, CCl2 = CH, n = 1, 3) in dipolar aprotic solvents - dimethylformamide (DMF), dimethylsulfoxide (DMSO), hexamethylphosphoramide (HMPA) - at 130-150-degrees-C react selectively at the CH2Cl group with salts of carboxylic acids R'CO2K(Na) to form dichloroesters R'CO2. (CH2)nR (R = CHCl2CH2, CCl2 = CH). In tetrachloroalkanes CCl3CH2(CH2)nCl (n = 1, 3, 5) under the same conditions the selectivity of the CCl3 and CH2Cl groups relative to the nucleophile R'CO2K(Na) is altered - unsaturated esters R'CO2(CH2)nCH = CCl2 are formed in one stage with yields of 75-90%. Under the selected conditions, high conversion of polychloroalkanes to esters is attained 3 to 5 times more rapidly than in acid media. The structure of the ester obtained has been confirmed by their PMR spectra.
• Chloroalkyl acylates
  申请人：HERCULES POWDER CO LTD

  公开号：US02500009A1

  公开（公告）日：1950-03-07