3-Benzyloxycarbonylmethyl-6-t-butoxycarbonylmethyl-3,6-diazaoctanedicarboxylic acid-di-t-butyl ester | 193143-31-6

• 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: 3-Benzyloxycarbonylmethyl-6-t-butoxycarbonylmethyl-3,6-diazaoctanedicarboxylic acid-di-t-butyl ester
• 英文别名: Benzyl 2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
• CAS: 193143-31-6
• 化学式: C₂₉H₄₆N₂O₈
• 分子量: 550.693
• InChiKey: JDCGJGXYAMFDCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  39
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  3-Benzyloxycarbonylmethyl-6-t-butoxycarbonylmethyl-3,6-diazaoctanedicarboxylic acid-di-t-butyl ester 在 palladium on activated charcoal 氢气 作用下， 以 异丙醇 为溶剂， 反应 12.0h， 以97%的产率得到2-[2-[Bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid
  参考文献：
  名称：

  Unnatural multidentate metal ligating α-amino acids

  摘要：

  A family of penta- and hexadentate metal ligating alpha-amino acids, suitably protected for Fmoc solid-phase chemistry, has been prepared. These residues incorporate the mono-amides of ethanolaminetriacetic acid, ethylenediaminetriacetic acid, and ethylenediaminetetraacetic acid as side chains. Side chains are tethered varying distances (n) from the C alpha-carbon to allow metal binding events to occur at distinct distances from the peptide backbone. These residues are designed to allow the facile installation of metal chelates along a peptide backbone. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.06.128
• 作为产物：
  描述：

  N-benzyl-N,N',N'-tris(tert-butyloxycarbonylmethyl)ethylenediamine 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 异丙醇 为溶剂， 反应 15.0h， 生成 3-Benzyloxycarbonylmethyl-6-t-butoxycarbonylmethyl-3,6-diazaoctanedicarboxylic acid-di-t-butyl ester
  参考文献：
  名称：

  Unnatural multidentate metal ligating α-amino acids

  摘要：

  A family of penta- and hexadentate metal ligating alpha-amino acids, suitably protected for Fmoc solid-phase chemistry, has been prepared. These residues incorporate the mono-amides of ethanolaminetriacetic acid, ethylenediaminetriacetic acid, and ethylenediaminetetraacetic acid as side chains. Side chains are tethered varying distances (n) from the C alpha-carbon to allow metal binding events to occur at distinct distances from the peptide backbone. These residues are designed to allow the facile installation of metal chelates along a peptide backbone. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.06.128