Acetic acid acetoxy-(4-cyano-phenylcarbamoyl)-methyl ester | 1026351-29-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Acetic acid acetoxy-(4-cyano-phenylcarbamoyl)-methyl ester
• 英文别名: [1-Acetyloxy-2-(4-cyanoanilino)-2-oxoethyl] acetate
• CAS: 1026351-29-0
• 化学式: C₁₃H₁₂N₂O₅
• 分子量: 276.249
• InChiKey: MGMCVHLFPYYLLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Acetic acid acetoxy-(4-cyano-phenylcarbamoyl)-methyl ester 在 盐酸羟胺 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 N-(4-Cyano-phenyl)-2-[(Z)-hydroxyimino]-acetamide
  参考文献：
  名称：

  An improved synthesis of isonitrosoacetanilides

  摘要：

  A novel two-step synthesis of isonitrosoacetanilides [2-(hydroxyimino)-N-phenylacetamides] has been developed, involving the initial acylation of aniline derivatives with 2,2-diacetoxyacetyl chloride, followed by reaction with hydroxylamine hydrochloride. The method works equally well with a variety of different aniline derivatives, including those with poor aqueous solubility and those containing electron rich ortho-substituents, neither of which react well under traditional conditions. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.046
• 作为产物：
  描述：

  2,2-二乙酰氧基乙酸 在 氯化亚砜 、 potassium hydrogencarbonate 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 Acetic acid acetoxy-(4-cyano-phenylcarbamoyl)-methyl ester
  参考文献：
  名称：

  An improved synthesis of isonitrosoacetanilides

  摘要：

  A novel two-step synthesis of isonitrosoacetanilides [2-(hydroxyimino)-N-phenylacetamides] has been developed, involving the initial acylation of aniline derivatives with 2,2-diacetoxyacetyl chloride, followed by reaction with hydroxylamine hydrochloride. The method works equally well with a variety of different aniline derivatives, including those with poor aqueous solubility and those containing electron rich ortho-substituents, neither of which react well under traditional conditions. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.046