[4-[2-(Cyanomethoxy)-2-oxoethoxy]phenyl]methyl 4-(2-cyanoacetyl)benzoate | 201139-17-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [4-[2-(Cyanomethoxy)-2-oxoethoxy]phenyl]methyl 4-(2-cyanoacetyl)benzoate
• CAS: 201139-17-5
• 化学式: C₂₁H₁₆N₂O₆
• 分子量: 392.368
• InChiKey: MWFRNEOZGGDVDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-肼基吡啶盐酸盐 、 [4-[2-(Cyanomethoxy)-2-oxoethoxy]phenyl]methyl 4-(2-cyanoacetyl)benzoate 在 Tentagel S NH₂ Resin 、 三氟乙酸 作用下， 生成 4-(5-Amino-1-pyridin-2-ylpyrazol-3-yl)benzoic acid
  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
• 作为产物：
  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.