3-N,3-N,11-N,11-N,19-N,19-N,27-N,27-N,35-N,35-N-decaethyl-2,4,10,12,18,20,26,28,34,36-decaoxa-3,11,19,27,35-pentaphosphahexacyclo[35.3.1.15,9.113,17.121,25.129,33]pentatetraconta-1(41),5(45),6,8,13(44),14,16,21,23,25(43),29,31,33(42),37,39-pentadecaene-3,11,19,27,35-pentamine | 332350-77-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-N,3-N,11-N,11-N,19-N,19-N,27-N,27-N,35-N,35-N-decaethyl-2,4,10,12,18,20,26,28,34,36-decaoxa-3,11,19,27,35-pentaphosphahexacyclo[35.3.1.15,9.113,17.121,25.129,33]pentatetraconta-1(41),5(45),6,8,13(44),14,16,21,23,25(43),29,31,33(42),37,39-pentadecaene-3,11,19,27,35-pentamine
• CAS: 332350-77-3
• 化学式: C₅₀H₇₀N₅O₁₀P₅
• 分子量: 1056.0
• InChiKey: OGXRNCUEMKTBKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.13
• 重原子数：
  70.0
• 可旋转键数：
  15.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  108.5
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  3-N,3-N,11-N,11-N,19-N,19-N,27-N,27-N,35-N,35-N-decaethyl-2,4,10,12,18,20,26,28,34,36-decaoxa-3,11,19,27,35-pentaphosphahexacyclo[35.3.1.15,9.113,17.121,25.129,33]pentatetraconta-1(41),5(45),6,8,13(44),14,16,21,23,25(43),29,31,33(42),37,39-pentadecaene-3,11,19,27,35-pentamine 在 sulfur 作用下， 以 苯 为溶剂， 反应 3.0h， 生成 cyclopenta(m-phenylenediethylamidothionophosphate)
  参考文献：
  名称：

  Synthesis of Penta- and Hexa-m-Phenylenecyclophosphites and Thiophosphates

  摘要：

  New representatives of an original crown ether class-penta- and hexaresorcinolamidophosphites (7a,b and 13a,b)-were synthesized using the molecular assemblage technique. Their thio derivatives (8a,b and 14a,b) were obtained, as well as the rhodium (I) complex of hexaphosphite 13b (16). Macrocycle 15 containing both P3+ and P5+ was synthesized, H-1 and P-31 NMR spectroscopy data suggested the higher conformational flexibility of phosphite macrocycles.

  DOI：

  10.1080/10426500008076340
• 作为产物：
  描述：

  Diethyl-phosphoramidous acid bis-(3-hydroxy-phenyl) ester 以 乙腈 为溶剂， 反应 4.0h， 生成 3-N,3-N,11-N,11-N,19-N,19-N,27-N,27-N,35-N,35-N-decaethyl-2,4,10,12,18,20,26,28,34,36-decaoxa-3,11,19,27,35-pentaphosphahexacyclo[35.3.1.15,9.113,17.121,25.129,33]pentatetraconta-1(41),5(45),6,8,13(44),14,16,21,23,25(43),29,31,33(42),37,39-pentadecaene-3,11,19,27,35-pentamine
  参考文献：
  名称：

  Synthesis of Penta- and Hexa-m-Phenylenecyclophosphites and Thiophosphates

  摘要：

  New representatives of an original crown ether class-penta- and hexaresorcinolamidophosphites (7a,b and 13a,b)-were synthesized using the molecular assemblage technique. Their thio derivatives (8a,b and 14a,b) were obtained, as well as the rhodium (I) complex of hexaphosphite 13b (16). Macrocycle 15 containing both P3+ and P5+ was synthesized, H-1 and P-31 NMR spectroscopy data suggested the higher conformational flexibility of phosphite macrocycles.

  DOI：

  10.1080/10426500008076340