Acetic acid, [4-(hydroxymethyl)phenoxy]-, cyanomethyl ester | 165056-84-8

• 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, [4-(hydroxymethyl)phenoxy]-, cyanomethyl ester
• 英文别名: cyanomethyl 2-[4-(hydroxymethyl)phenoxy]acetate
• CAS: 165056-84-8
• 化学式: C₁₁H₁₁NO₄
• 分子量: 221.213
• InChiKey: UWZUZTMAKVEGIN-UHFFFAOYSA-N

物化性质

• 沸点：
  424.7±30.0 °C(Predicted)
• 密度：
  1.273±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  79.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Acetic acid, [4-(hydroxymethyl)phenoxy]-, cyanomethyl ester 在 triphenylphosphine dibromide 1:1 addition complex 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 [4-[2-(Cyanomethoxy)-2-oxoethoxy]phenyl]methyl 4-(2-cyanoacetyl)benzoate
  参考文献：
  名称：

  Solid phase synthesis of 5-aminopyrazoles and derivatives

  摘要：

  The development of a novel solid phase synthesis of some 5-aminopyrazoles and derivatives is described. Reaction of hydrazines with solid supported beta-keto-nitrile (1) affords 5-aminopyrazoles (2) the amino group of which is readily acylated or sulphonylated. Generation of the solid supported beta-keto-nitrile (1) is non trivial and represents a key step in the overall synthesis. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10436-1

文献信息

• Solid phase synthesis of 5-aminopyrazoles and derivatives
  作者：Stephen P. Watson、Richard D. Wilson、Duncan B. Judd、Stephen A. Richards

  DOI：10.1016/s0040-4039(97)10436-1

  日期：1997.12

  The development of a novel solid phase synthesis of some 5-aminopyrazoles and derivatives is described. Reaction of hydrazines with solid supported beta-keto-nitrile (1) affords 5-aminopyrazoles (2) the amino group of which is readily acylated or sulphonylated. Generation of the solid supported beta-keto-nitrile (1) is non trivial and represents a key step in the overall synthesis. (C) 1997 Elsevier Science Ltd.