3,5-bis(bromomethyl)benzyl isobutyrate | 1190271-14-7

• 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: 3,5-bis(bromomethyl)benzyl isobutyrate
• 英文别名: [3,5-Bis(bromomethyl)phenyl]methyl 2-methylpropanoate；[3,5-bis(bromomethyl)phenyl]methyl 2-methylpropanoate
• CAS: 1190271-14-7
• 化学式: C₁₃H₁₆Br₂O₂
• 分子量: 364.077
• InChiKey: YNUPLHDCQIOQLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5-bis(bromomethyl)benzyl isobutyrate 、 二氢生长抑素 在 3,3,3-膦三基三丙酸 作用下， 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of Novel Peptide Linkers: Simultaneous Cyclization and Labeling

  摘要：

  Synthesis of novel peptide linkers was accomplished by monocarboxylation of 1,3,5-tris(bomomethyl)benzene with a wide variety of carboxylic acids in the presence of diisopropylethylamine. These reagents can be used to simultaneously cyclize and label peptides containing two cysteines. Many labels are compatible with this method including lipids, fluorescent groups, and biotin.

  DOI：

  10.1021/ol901662c
• 作为产物：
  描述：

  1,3,5-三(溴甲基)苯 、 异丁酸 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以60%的产率得到3,5-bis(bromomethyl)benzyl isobutyrate
  参考文献：
  名称：

  Synthesis of Novel Peptide Linkers: Simultaneous Cyclization and Labeling

  摘要：

  Synthesis of novel peptide linkers was accomplished by monocarboxylation of 1,3,5-tris(bomomethyl)benzene with a wide variety of carboxylic acids in the presence of diisopropylethylamine. These reagents can be used to simultaneously cyclize and label peptides containing two cysteines. Many labels are compatible with this method including lipids, fluorescent groups, and biotin.

  DOI：

  10.1021/ol901662c

文献信息

• Synthesis of Novel Peptide Linkers: Simultaneous Cyclization and Labeling
  作者：Gajanan K. Dewkar、Pedro B. Carneiro、Matthew C. T. Hartman

  DOI：10.1021/ol901662c

  日期：2009.10.15

  Synthesis of novel peptide linkers was accomplished by monocarboxylation of 1,3,5-tris(bomomethyl)benzene with a wide variety of carboxylic acids in the presence of diisopropylethylamine. These reagents can be used to simultaneously cyclize and label peptides containing two cysteines. Many labels are compatible with this method including lipids, fluorescent groups, and biotin.