methyl (2R)-2-[4-(15'-chlorospiro[12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13,17'-2,5,8,11,14-pentaoxa-18-aza-16,19-diazanida-1lambda5-phospha-15,17-diphosphoniabicyclo[13.3.1]nonadec-1(18)-ene]-1'-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]acetate | 1285527-96-9

• 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 (2R)-2-[4-(15'-chlorospiro[12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13,17'-2,5,8,11,14-pentaoxa-18-aza-16,19-diazanida-1lambda5-phospha-15,17-diphosphoniabicyclo[13.3.1]nonadec-1(18)-ene]-1'-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]acetate
• 英文别名: methyl (2R)-2-[4-(15'-chlorospiro[12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13,17'-2,5,8,11,14-pentaoxa-18-aza-16,19-diazanida-1λ5-phospha-15,17-diphosphoniabicyclo[13.3.1]nonadec-1(18)-ene]-1'-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]acetate
• CAS: 1285527-96-9
• 化学式: C₄₄H₄₄ClN₄O₁₂P₃S
• 分子量: 981.293
• InChiKey: VGXXRBVUECEXFT-OCRYWLBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  65
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  169
• 氢给体数：
  1
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  三缩四乙二醇 在 六氯环三磷腈 、 sodium hydride 、 sodium carbonate 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 、 mineral oil 为溶剂， 反应 144.0h， 生成 methyl (2R)-2-[4-(15'-chlorospiro[12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13,17'-2,5,8,11,14-pentaoxa-18-aza-16,19-diazanida-1lambda5-phospha-15,17-diphosphoniabicyclo[13.3.1]nonadec-1(18)-ene]-1'-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]acetate
  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.