2-(Chloromethyl)-2-ethylbutanal | 119219-92-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 2-(Chloromethyl)-2-ethylbutanal
• CAS: 119219-92-0
• 化学式: C₇H₁₃ClO
• mdl: MFCD19233747
• 分子量: 148.633
• InChiKey: GTRDBOOWNSIMDW-UHFFFAOYSA-N

物化性质

• 沸点：
  195.5±13.0 °C(Predicted)
• 密度：
  0.972±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(Chloromethyl)-2-ethylbutanal 在 magnesium sulfate 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 24.0h， 生成 3,3-Diethyl-1-propan-2-ylazetidine-2-carbonitrile
  参考文献：
  名称：

  Synthesis of azetidines from β-chloro imines

  摘要：

  DOI：

  10.1016/s0040-4020(01)85996-2

文献信息

• Synthesis of 1-amino-2,2-dialkylcyclopropanecarboxylic acids from β-chloroaldimines
  作者：Norbert De Kimpe、Paul Sulmon、Chris Stevens

  DOI：10.1016/s0040-4020(01)86477-2

  日期：1991.1

  A variety of hydrogen cyanide adducts of beta-chloroaldimines using acetone cyanohydrin were prepared. The reactive behaviour of these alpha-amino-gamma-chloronitriles towards bases was investigated with the aim to generate 1-aminocyclopropanecarbonitriles, which are precursors for the potentially plant growth regulating 1-aminocyclopropanecarboxylic acids. The synthesis of 1-amino-2,2-dimethylcyclopropanecarboxylic acid (= 2,3-methanovaline) by a reaction sequence involving addition of hydrogen cyanide across beta-chloroaldimines, ring closure to functionalized cyclopropanes and acidic hydrolysis was accomplished. Alternatively the hydrogen cyanide adducts of beta-chloroaldimines were converted into alpha-(N-benzylidene)amino-gamma-chloronitriles, which were ring closed with base and hydrolyzed to afford 1-amino-2,2-dialkylcyclopropanecarbonitriles, the latter serving again as substrates for the hydrolytic conversion into the corresponding 1-amino-2,2-dialkylcyclopropanecarboxylic acids (exemplified for 1-amino-2,2-dimethylcyclopropanecarboxylic acid).
• DE, KIMPE NORBERT;SULMON, PAUL, SYNLETT,(1990) N, C. 161-162
  作者：DE, KIMPE NORBERT、SULMON, PAUL

  DOI：——

  日期：——
• Synthesis of azetidines from β-chloro imines
  作者：Paul Sulmon、Norbert De Kimpe、Niceas Schamp、Bernard Tinant、Jean-Paul Declercq

  DOI：10.1016/s0040-4020(01)85996-2

  日期：1988.1