methyl 2-imino-2-isopropoxyacetate hydrochloride

• 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: methyl 2-imino-2-isopropoxyacetate hydrochloride
• 英文别名: Methyl 2-imino-2-propan-2-yloxyacetate;hydrochloride
• 化学式: C₆H₁₁NO₃*ClH
• 分子量: 181.619
• InChiKey: QOJZYPVAIWSTEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.98
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  59.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  氰基甲酸甲酯 、 异丙醇 在 盐酸 作用下， 以 乙醚 为溶剂， 以84%的产率得到methyl 2-imino-2-isopropoxyacetate hydrochloride
  参考文献：
  名称：

  Synthesis of Carboalkoxychloro- and Bromodiazirines

  摘要：

  The first known 3H-diazirines bearing a carbonyl group and a halogen atom on C-3 have been prepared by a novel synthetic method. Carboalkoxychloro- and bromodiazirines 1a-d are formed in up to 45% yields by reductive dechlorination of carboalkoxy-N,N,N'-trichloroformamidines 9a,b using chloride or bromide ion. This method constitutes the first example of the use of N,N,N'-trichloroamidines as starting materials in organic synthesis.

  DOI：

  10.1021/jo040194r

文献信息

• Synthesis of Carboalkoxychloro- and Bromodiazirines
  作者：Tomas Martinu、William P. Dailey

  DOI：10.1021/jo040194r

  日期：2004.10.1

  The first known 3H-diazirines bearing a carbonyl group and a halogen atom on C-3 have been prepared by a novel synthetic method. Carboalkoxychloro- and bromodiazirines 1a-d are formed in up to 45% yields by reductive dechlorination of carboalkoxy-N,N,N'-trichloroformamidines 9a,b using chloride or bromide ion. This method constitutes the first example of the use of N,N,N'-trichloroamidines as starting materials in organic synthesis.