(E)-1-chloro-4,4-ethylenedioxy-3-methyl-2-butene | 118757-23-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 英文名称: (E)-1-chloro-4,4-ethylenedioxy-3-methyl-2-butene
• 英文别名: 2-methyl-4-chloro-2-butenal ethylene glycol acetal；2-[(E)-4-chlorobut-2-en-2-yl]-1,3-dioxolane
• CAS: 118757-23-6
• 化学式: C₇H₁₁ClO₂
• 分子量: 162.616
• InChiKey: XWGMTNAUSPDHTD-QHHAFSJGSA-N

物化性质

• 沸点：
  210.6±30.0 °C(Predicted)
• 密度：
  1.139±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-1-chloro-4,4-ethylenedioxy-3-methyl-2-butene 在 sodium hydroxide 、 potassium hydrogensulfate 、 sodium methylate 、 草酸 、 magnesium 作用下， 以 丙酮 为溶剂， 反应 4.0h， 生成 (E)-2-methyl-6-methylene-2,7-octadienal
  参考文献：
  名称：

  Narcissus trevithian and Narcissus geranium: Analysis and synthesis of compounds

  摘要：

  The essential oils of two narcissus varieties, Narcissus trevithian and Narcissus geranium, obtained by extraction of flowers followed by high vacuum distillation of the absolute, were analyzed by GC/MS. After separation in fractions, unknown compounds were isolated by preparative GLC and their structures established by NMR/IR spectroscopy. The synthesis of a number of new compounds, found for the first time in narcissus oil, is described. The two narcissus species are compared with respect to their main components and odor quality. All compounds found so far in narcissus varieties are listed.

  DOI：

  10.1021/jf00035a047
• 作为产物：
  描述：

  1,1-二甲氧基-2-甲基丁-3-烯-2-醇 在 盐酸 、 对甲苯磺酸 、 sodium chloride 作用下， 以 环己烷 、 甲苯 为溶剂， 反应 6.0h， 生成 (E)-1-chloro-4,4-ethylenedioxy-3-methyl-2-butene
  参考文献：
  名称：

  Narcissus trevithian and Narcissus geranium: Analysis and synthesis of compounds

  摘要：

  The essential oils of two narcissus varieties, Narcissus trevithian and Narcissus geranium, obtained by extraction of flowers followed by high vacuum distillation of the absolute, were analyzed by GC/MS. After separation in fractions, unknown compounds were isolated by preparative GLC and their structures established by NMR/IR spectroscopy. The synthesis of a number of new compounds, found for the first time in narcissus oil, is described. The two narcissus species are compared with respect to their main components and odor quality. All compounds found so far in narcissus varieties are listed.

  DOI：

  10.1021/jf00035a047

文献信息

• Palladium-Catalyzed Selective Hydrogenolysis of Alkenylcyclopropanes Having Two Electron Withdrawing Groups Using Ammonium Formates
  作者：Isao Shimizu、Fuyuki Aida

  DOI：10.1246/cl.1988.601

  日期：1988.4.5

  Selective hydrogenolysis of vinyl- or 2-(methoxycarbonyl)ethenylcyclopropanes having two electron withdrawing groups was carried out using palladium–phosphine catalysts with ammonium formates. The reaction proceeded with inversion of stereochemistry.

  具有两个吸电子基团的乙烯基或 2-（甲氧基羰基）乙烯基环丙烷的选择性氢解使用钯-膦催化剂和甲酸铵进行。反应以立体化学的反转进行。
• SHIMIZU, ISAO;AIDA, FUYUKI, CHEM. LETT.,(1988) N 4, 601-604
  作者：SHIMIZU, ISAO、AIDA, FUYUKI

  DOI：——

  日期：——