N-Boc-3-[2-(4-formylphenyl)benzoxazol-5-yl]alanine methyl ester | 1165850-72-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-Boc-3-[2-(4-formylphenyl)benzoxazol-5-yl]alanine methyl ester
• 英文别名: [(4-CHO)P]Box-Ala；methyl (2S)-3-[2-(4-formylphenyl)-1,3-benzoxazol-5-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 1165850-72-5
• 化学式: C₂₃H₂₄N₂O₆
• 分子量: 424.453
• InChiKey: INRICRBOMBCVDM-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,4-二甲基吡咯 、 N-Boc-3-[2-(4-formylphenyl)benzoxazol-5-yl]alanine methyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Synthesis and photophysical properties of a new amino acid possessing a BODIPY moiety

  摘要：

  The synthesis of a new amino acid possessing a BODIPY fluorophore, which is of use in peptide synthesis, is described. The influence of the amino acid as well as of benzoxazole moieties on the BODIPY spectral and photophysical properties is discussed. The photophysical properties of this fluorophore were modified only to a small extent compared to those of the parent compound. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.195
• 作为产物：
  描述：

  在 lead(IV) tetraacetate 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 以85 mg的产率得到N-Boc-3-[2-(4-formylphenyl)benzoxazol-5-yl]alanine methyl ester
  参考文献：
  名称：

  Synthesis and photophysical properties of a new amino acid possessing a BODIPY moiety

  摘要：

  The synthesis of a new amino acid possessing a BODIPY fluorophore, which is of use in peptide synthesis, is described. The influence of the amino acid as well as of benzoxazole moieties on the BODIPY spectral and photophysical properties is discussed. The photophysical properties of this fluorophore were modified only to a small extent compared to those of the parent compound. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.195