Methyl 2-[[4-chloro-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3,5-triazin-2-yl]amino]acetate | 1310041-45-2

• 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: Methyl 2-[[4-chloro-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3,5-triazin-2-yl]amino]acetate
• 英文别名: methyl 2-[[4-chloro-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3,5-triazin-2-yl]amino]acetate
• CAS: 1310041-45-2
• 化学式: C₁₃H₂₁ClN₆O₄
• 分子量: 360.801
• InChiKey: OURBFFCVNFAPJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  127
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Methyl 2-[[4-chloro-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3,5-triazin-2-yl]amino]acetate 在 potassium carbonate 、 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.25h， 生成
  参考文献：
  名称：

  Pseudo porphyrinyl amino acids based on 1,3,5-triazine scaffold: new tools for the synthesis of peptidic porphyrins

  摘要：

  Fmoc and Boc-protected pseudo meso-tetraarylporphyrin-based amino-acids were synthesized by sequential addition of nucleophiles to cyanuric chloride. These photosensitizers offer new scaffolds suitable for the generation of a large range of peptidic porphyrin derivatives designed for their use in photodynamic therapy. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.136
• 作为产物：
  描述：

  N-叔丁氧羰基-1,2-乙二胺 、 N-(4,6-dichloro-[1,3,5]triazin-2-yl)-glycine methyl ester 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 Methyl 2-[[4-chloro-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1,3,5-triazin-2-yl]amino]acetate
  参考文献：
  名称：

  Pseudo porphyrinyl amino acids based on 1,3,5-triazine scaffold: new tools for the synthesis of peptidic porphyrins

  摘要：

  Fmoc and Boc-protected pseudo meso-tetraarylporphyrin-based amino-acids were synthesized by sequential addition of nucleophiles to cyanuric chloride. These photosensitizers offer new scaffolds suitable for the generation of a large range of peptidic porphyrin derivatives designed for their use in photodynamic therapy. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.136

文献信息

• Pseudo porphyrinyl amino acids based on 1,3,5-triazine scaffold: new tools for the synthesis of peptidic porphyrins
  作者：Vincent Chaleix、Vincent Sol、Pierre Krausz

  DOI：10.1016/j.tetlet.2011.03.136

  日期：2011.6

  Fmoc and Boc-protected pseudo meso-tetraarylporphyrin-based amino-acids were synthesized by sequential addition of nucleophiles to cyanuric chloride. These photosensitizers offer new scaffolds suitable for the generation of a large range of peptidic porphyrin derivatives designed for their use in photodynamic therapy. (C) 2011 Elsevier Ltd. All rights reserved.