Bu3Sn-C*C-C*C-CPh2(OSiMe3) | 140389-67-9

• 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: Bu3Sn-C*C-C*C-CPh2(OSiMe3)
• 英文别名: (1,1-diphenyl-5-tributylstannylpenta-2,4-diynoxy)-trimethylsilane
• CAS: 140389-67-9
• 化学式: C₃₂H₄₆OSiSn
• 分子量: 593.512
• InChiKey: IUVDCZYWEDDACT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.18
• 重原子数：
  35
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  cis-dichlorodi[bis(diphenylphosphino)methane]ruthenium(II) 、 Bu3Sn-C*C-C*C-CPh2(OSiMe3) 以 二氯甲烷 为溶剂， 以30%的产率得到
  参考文献：
  名称：

  Pirio, Nadine; Touchard, Daniel; Dixneuf, Pierre H., Angewandte Chemie, 1992, vol. 104, p. 664 - 666

  摘要：

  DOI：

文献信息

• Metallacumulenes: Activation of Diynes and Formation of New Allenylideneruthenium Complexes. Crystal Structures of trans-[(Ph2PCH2PPh2)2(Cl)Ru:C:C:CR1R2]+ and trans-[(Ph2PCH2PPh2)2Ru(:C:C:C(OMe)CH:CPh2)2]2+ Derivatives
  作者：Daniel Touchard、Nadine Pirio、Loiec Toupet、Mohammed Fettouhi、Lahcene Ouahab、Pierre H. Dixneuf

  DOI：10.1021/om00011a050

  日期：1995.11

  cis-RuCl2(Ph(2)PCH(2)PPh(2))(2) (1) reacts with pentadiynes XC=CC=CCPh(2)(OSiMe(3)) [2 (X = H) and 3 (X = Bu(3)Sn)], but in the presence of NaPF6, to afford trans-(Ph(2)PCH(2)PPh(2))(2)(Cl)RuC=CC=CCPh(2)(OSiMe(3)) (4). On protonation with HBF4 complex 4 in methanol leads to allenylidene trans-[(Ph(2)PCH(2)PPh(2))(2)(Cl)Ru=C=C=C(OMe)CH=CPh(2)]X (5a)(a: X = BF4) and in dichloromethane to trans-[(Ph(2)PCH(2)PPh(2))(2)(Cl)Ru=C=C=CCH=C(Ph)(o-C6H4)]X (6a) via electrophilic ortho-substitution within the metallacumulene intermediate LnRu=C=C=C=C=CPh(2)]X (A). Alternatively, complex 1 and diyne 2 with NaPF6 afford in one step allenylidenes 5b (b: X = PF6) in methanol and 6b in dichloromethane. Bis(diynyl) derivative trans-(Ph(2)PCH(2)PPh(2))(2)Ru[(C=CC=CC(OSiMe(3))Ph(2)])(2) (7), obtained by reaction of 2 with 1 and (HNPr2)-Pr-i, on protonation with HBF4 in methanol offered a direct route to the first bis(allenylidene) complex trans-[(Ph(2)PCH(2)PPh(2))(2)Ru(=C=C=C(OMe)CH=CPh(2))(2)](BF4)(2) (8). The X-ray diffraction studies of two allenylidene complexes 6b and 8 are reported. The structure of 6b consists of two different allenylidene cations. That of 8 shows coplanar allenylidene ligands with a strong contribution of a ynyl resonance structure.