13-[4-[4-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)phenyl]sulfanylphenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene | 408357-68-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 13-[4-[4-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)phenyl]sulfanylphenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
• CAS: 408357-68-6
• 化学式: C₅₂H₃₂O₆P₂S
• 分子量: 846.836
• InChiKey: UYOPGWUVVOYIDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.34
• 重原子数：
  61.0
• 可旋转键数：
  6.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.02
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 13-[4-[4-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)phenyl]sulfanylphenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 以 二氯甲烷 、 苯 为溶剂， 以89.6%的产率得到
  参考文献：
  名称：

  Synthesis of Ru–Arene complexes of Me-Duphos. X-ray, PGSE NMR diffusion and catalytic studies

  摘要：

  Cationic [RuCl(arene)(Me-Duphos)]Cl complexes, arene = eta(6)-benzene and eta(6)-p-cymene, Me-Duphos = 1,2-bis-((2R,5R)-2,5-dimethylphospholano) benzene) have been prepared and studied by X-ray crystallography and NMR spectroscopy. PGSE NMR diffusion studies have been used to recognize (a) ion pairing as a function of solvent and (b) larger molecular volumes. Several arene-Ru-complexes have been shown to be useful catalyst precursors in the hydrolysis of terminal aryl alkynes to afford acetophenones. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00680-6