methyl (2S)-3-[4-[[15-chloro-17,17-bis(4-nitrophenoxy)-2,5,8,11,14-pentaoxa-18-aza-16,19-diazanida-1lambda5-phospha-15,17-diphosphoniabicyclo[13.3.1]nonadec-1(18)-en-1-yl]oxy]phenyl]-2-[(2-nitrophenyl)sulfonylamino]propanoate | 1285527-97-0

• 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 (2S)-3-[4-[[15-chloro-17,17-bis(4-nitrophenoxy)-2,5,8,11,14-pentaoxa-18-aza-16,19-diazanida-1lambda5-phospha-15,17-diphosphoniabicyclo[13.3.1]nonadec-1(18)-en-1-yl]oxy]phenyl]-2-[(2-nitrophenyl)sulfonylamino]propanoate
• 英文别名: methyl (2S)-3-[4-[[15-chloro-17,17-bis(4-nitrophenoxy)-2,5,8,11,14-pentaoxa-18-aza-16,19-diazanida-1λ5-phospha-15,17-diphosphoniabicyclo[13.3.1]nonadec-1(18)-en-1-yl]oxy]phenyl]-2-[(2-nitrophenyl)sulfonylamino]propanoate
• CAS: 1285527-97-0
• 化学式: C₃₆H₃₉ClN₇O₁₈P₃S
• 分子量: 1018.18
• InChiKey: AUHKQAYSKFSKMM-QVRYQGATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  66
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  307
• 氢给体数：
  1
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  PNP16C6 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 122.0h， 生成 methyl (2S)-3-[4-[[15-chloro-17,17-bis(4-nitrophenoxy)-2,5,8,11,14-pentaoxa-18-aza-16,19-diazanida-1lambda5-phospha-15,17-diphosphoniabicyclo[13.3.1]nonadec-1(18)-en-1-yl]oxy]phenyl]-2-[(2-nitrophenyl)sulfonylamino]propanoate
  参考文献：
  名称：

  Selective O-functionalization of phenolic α-amino acids with crown ethers bearing cyclophosphazene sub-units

  摘要：

  Cyclophosphazenes (CyP) containing a crown ether and an alpha-amino acid unit have been prepared starting from diphosphaza[16]crown-6 (PNP16C6). Nucleophilic substitution of one (or both) residual ansa-chlorine atom(s) of bis-spiro substituted PNP16C6 by alpha-arylsulfonamido esters containing a phenolic function leads to the target compounds. These new polyfunctionalized CyP are lariat ethers, potentially useful as starting materials for the preparation of 'pH-controlled active ion carriers' in liquid membranes. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.01.053

文献信息

• Selective O-functionalization of phenolic α-amino acids with crown ethers bearing cyclophosphazene sub-units
  作者：Michele Penso、Angelamaria Maia、Vittoria Lupi、Giovanni Tricarico

  DOI：10.1016/j.tet.2011.01.053

  日期：2011.3

  Cyclophosphazenes (CyP) containing a crown ether and an alpha-amino acid unit have been prepared starting from diphosphaza[16]crown-6 (PNP16C6). Nucleophilic substitution of one (or both) residual ansa-chlorine atom(s) of bis-spiro substituted PNP16C6 by alpha-arylsulfonamido esters containing a phenolic function leads to the target compounds. These new polyfunctionalized CyP are lariat ethers, potentially useful as starting materials for the preparation of 'pH-controlled active ion carriers' in liquid membranes. (C) 2011 Elsevier Ltd. All rights reserved.