2,6-C6H4(OP(OC10H6(μ-S)C10H6O))2 | 1226501-54-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,6-C6H4(OP(OC10H6(μ-S)C10H6O))2
• 英文别名: 14-[3-(13,15-Dioxa-2-thia-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)phenoxy]-13,15-dioxa-2-thia-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene；14-[3-(13,15-dioxa-2-thia-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy)phenoxy]-13,15-dioxa-2-thia-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene
• CAS: 1226501-54-7
• 化学式: C₄₆H₂₈O₆P₂S₂
• 分子量: 802.804
• InChiKey: RMSLFAJJUDMMPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  56
• 可旋转键数：
  4
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,6-C6H4(OP(OC10H6(μ-S)C10H6O))2 、 copper(l) chloride 以 二氯甲烷 、 乙腈 为溶剂， 以88%的产率得到[copper(I)chloride(2,6-C6H4(OP(OC10H6(μ-S)C10H6O))2)κ-P,κ-P]
  参考文献：
  名称：

  Large-bite bisphosphite, 1,3-C6H4{OPOC10H6(μ-S)C10H6O}2: Synthesis, copper(I), and gold(I) complexes

  摘要：

  Large-bite bisphosphite ligand 1,3-C6H4{OPOC10H6(mu-S)C10H6O}(2) (3), is obtained by reacting chlorophosphonite {OC10H6(mu-S)C10H6O}PCl (2) with resorcinol in the presence of triethylamine. Treatment of 3 with CuCl in 1:1 molar ratio produces a 1D-coordination polymer [CuCl{(-OC10H6(mu-S)C10H6O-) P(-OC6H4O-)P(-OC10H6(mu-S)C10H6O-)}-kappa P,kappa P](infinity) (4) in good yield. Similar reaction of 3 with two equivalents of AuCl(SMe2) affords a dinuclear complex, [Au2Cl2{(-OC10H6(mu-S)C10H6O-) P(-OC6H4O-)P(-OC10H6(mu-S)C10H6O-)}-kappa P,kappa P] (5). Single crystal X-ray structures of the ligand 3 and the complexes 4 and 5 are reported. The gold complex 5 shows dimeric structure supported by strong Au center dot center dot center dot Au aurophilic interactions. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.11.026
• 作为产物：
  描述：

  14-Chloro-13,15-dioxa-2-thia-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene 、 间苯二酚 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以86%的产率得到2,6-C6H4(OP(OC10H6(μ-S)C10H6O))2
  参考文献：
  名称：

  Large-bite bisphosphite, 1,3-C6H4{OPOC10H6(μ-S)C10H6O}2: Synthesis, copper(I), and gold(I) complexes

  摘要：

  Large-bite bisphosphite ligand 1,3-C6H4{OPOC10H6(mu-S)C10H6O}(2) (3), is obtained by reacting chlorophosphonite {OC10H6(mu-S)C10H6O}PCl (2) with resorcinol in the presence of triethylamine. Treatment of 3 with CuCl in 1:1 molar ratio produces a 1D-coordination polymer [CuCl{(-OC10H6(mu-S)C10H6O-) P(-OC6H4O-)P(-OC10H6(mu-S)C10H6O-)}-kappa P,kappa P](infinity) (4) in good yield. Similar reaction of 3 with two equivalents of AuCl(SMe2) affords a dinuclear complex, [Au2Cl2{(-OC10H6(mu-S)C10H6O-) P(-OC6H4O-)P(-OC10H6(mu-S)C10H6O-)}-kappa P,kappa P] (5). Single crystal X-ray structures of the ligand 3 and the complexes 4 and 5 are reported. The gold complex 5 shows dimeric structure supported by strong Au center dot center dot center dot Au aurophilic interactions. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.11.026