1-[4-[[3,5-Bis[[4-(1-hydroxy-1-phenylprop-2-ynyl)phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-1-phenylprop-2-yn-1-ol | 548490-97-7

• 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: 1-[4-[[3,5-Bis[[4-(1-hydroxy-1-phenylprop-2-ynyl)phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-1-phenylprop-2-yn-1-ol
• 英文别名: 1-[4-[[3,5-bis[[4-(1-hydroxy-1-phenylprop-2-ynyl)phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-1-phenylprop-2-yn-1-ol
• CAS: 548490-97-7
• 化学式: C₅₇H₄₈O₆
• 分子量: 829.005
• InChiKey: ZSBDSTKYNNGDEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  63
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  88.4
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [(1,2-bis(diphenylphosphino)ethane)2RuCl]BF4 、 1-[4-[[3,5-Bis[[4-(1-hydroxy-1-phenylprop-2-ynyl)phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-1-phenylprop-2-yn-1-ol 以 二氯甲烷 为溶剂， 以97%的产率得到C6Me3-1,3,5-(CH2O(p-OC6H4)C(C6H5)=C=C=Ru(dppe)2ClBF4)3
  参考文献：
  名称：

  Novel Polymetallic Vinylidene- and Allenylideneruthenium(II) Complexes

  摘要：

  Two new triynes, C6Me3-1,3,5-[CH2O(p-C6H4)CdropCH](3) (3) and C6Me3-1,3,5-[CH2O(p-C6H4)-PhC(OH)CdropCH](3) (5), have been prepared and used for the facile synthesis of several tris(vinylideneruthenium) and tris(allenylideneruthenium) complexes via metal-mediated activation and tautomerization or isomerization and dehydration of the alkyne moieties, respectively. Complexes C6Me3-1,3,5-{[CH2O(p-C6H4)CH=C=Ru(dppe)(2)Cl]BF4}(3) (6) and C6Me3-1,3,5-{[CH2O(p-C6H4)PhC=C=C=Ru(dppe)(2)Cl]BF4}(3) (8) were obtained by activation of 3 and 5 by [RuCl(dppe)(2)]BF4. C6Me3-1,3,5-[CH2O(p-C6H4)C=H=C=Ru(PCy3)(2)Cl-2](3) (7) and C6Me3-1,3,5-{[CH2O(p-C6H4)PhC=C=C=Ru(PCy3)(p-cymene)Cl]OTf}(3) (9) resulted from the reaction of 3 with [RuCl2(p-cymene)](2)/2PCy(3) and of 5 with [RuCl(PCy3)(p-cymene)]OTf.

  DOI：

  10.1021/om0300326

文献信息

• Novel Polymetallic Vinylidene- and Allenylideneruthenium(II) Complexes
  作者：Dana Weiss、Pierre H. Dixneuf

  DOI：10.1021/om0300326

  日期：2003.5.1

  Two new triynes, C6Me3-1,3,5-[CH2O(p-C6H4)CdropCH](3) (3) and C6Me3-1,3,5-[CH2O(p-C6H4)-PhC(OH)CdropCH](3) (5), have been prepared and used for the facile synthesis of several tris(vinylideneruthenium) and tris(allenylideneruthenium) complexes via metal-mediated activation and tautomerization or isomerization and dehydration of the alkyne moieties, respectively. Complexes C6Me3-1,3,5-[CH2O(p-C6H4)CH=C=Ru(dppe)(2)Cl]BF4}(3) (6) and C6Me3-1,3,5-[CH2O(p-C6H4)PhC=C=C=Ru(dppe)(2)Cl]BF4}(3) (8) were obtained by activation of 3 and 5 by [RuCl(dppe)(2)]BF4. C6Me3-1,3,5-[CH2O(p-C6H4)C=H=C=Ru(PCy3)(2)Cl-2](3) (7) and C6Me3-1,3,5-[CH2O(p-C6H4)PhC=C=C=Ru(PCy3)(p-cymene)Cl]OTf}(3) (9) resulted from the reaction of 3 with [RuCl2(p-cymene)](2)/2PCy(3) and of 5 with [RuCl(PCy3)(p-cymene)]OTf.