4-[[[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]oxy]methyl]benzoic acid tert-butyl ester | 936633-33-9

• 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: 4-[[[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]oxy]methyl]benzoic acid tert-butyl ester
• CAS: 936633-33-9
• 化学式: C₁₇H₁₉NO₇
• 分子量: 349.34
• InChiKey: SVCQDDMUMZJCTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  99.21
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-[[[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]oxy]methyl]benzoic acid tert-butyl ester 在 ethandithiol 、 二异丙胺 、 三氟乙酸 作用下， 以 水 为溶剂， 生成 4-[[4-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]-4-[[(2R)-2-(carboxymethyl)-3-[4-(phosphonomethyl)phenyl]propanoyl]amino]piperidine-1-carbonyl]oxymethyl]benzoic acid
  参考文献：
  名称：

  Examination of Acylated 4-Aminopiperidine-4-carboxylic Acid Residues in the Phosphotyrosyl+1 Position of Grb2 SH2 Domain-Binding Tripeptides

  摘要：

  A 4-aminopiperidine-4-carboxylic acid residue was placed in the pTyr+1 position of a Grb2 SH2 domain-binding peptide to form a general platform, which was then acylated with a variety of groups to yield a library of compounds designed to explore potential binding interactions, with protein features lying below the beta D strand. The highest affinities were obtained using phenylethyl carbamate and phenylbutyrylamide functionalities.

  DOI：

  10.1021/jm0614073
• 作为产物：
  描述：

  对醛基苯甲酸 在 三氟化硼乙醚 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 环己烷 、 乙腈 为溶剂， 反应 17.5h， 生成 4-[[[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]oxy]methyl]benzoic acid tert-butyl ester
  参考文献：
  名称：

  Examination of Acylated 4-Aminopiperidine-4-carboxylic Acid Residues in the Phosphotyrosyl+1 Position of Grb2 SH2 Domain-Binding Tripeptides

  摘要：

  A 4-aminopiperidine-4-carboxylic acid residue was placed in the pTyr+1 position of a Grb2 SH2 domain-binding peptide to form a general platform, which was then acylated with a variety of groups to yield a library of compounds designed to explore potential binding interactions, with protein features lying below the beta D strand. The highest affinities were obtained using phenylethyl carbamate and phenylbutyrylamide functionalities.

  DOI：

  10.1021/jm0614073