(Ph3P)2(3,5-dimethylpyrazole)(CO)ClRuCHCHCMe3 | 115462-01-6

• 英文名称: (Ph3P)2(3,5-dimethylpyrazole)(CO)ClRuCHCHCMe3
• CAS: 115462-01-6
• 化学式: C₄₈H₄₉ClN₂OP₂Ru
• 分子量: 868.4
• InChiKey: MLQIGOPBQUEMGS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  1,1'-双(二苯基膦)二茂铁 、 (Ph3P)2(3,5-dimethylpyrazole)(CO)ClRuCHCHCMe3 在 H₂O 作用下， 以 甲苯 为溶剂， 以71%的产率得到
  参考文献：
  名称：

  Synthesis of New Ruthenium(II) Carbonyl Hydrido, Alkenyl, and Alkynyl Complexes with Chelating Diphosphines

  摘要：

  Substitution of one or two triphenylphosphine ligands of Ru(CO)ClH(PPh(3))(3) by bidentate diphosphines Ph(2)P(CH2)(n)PPh(2) (L-L) (n = 1, dppm; n = 2, dppe; n = 3, dppp; n = 4, dppb) or 1, 1'-bis(diphenylphosphino)ferrocene (dppf) led to hydrides Ru(CO)ClH(PPh(3))(2)(L-L) or Ru(CO)ClH(PPh(3))(L-L). The hydride complexes were characterized spectroscopically and by one X-ray structure. Hydride Ru(CO)ClH(PPh(3))(dppf) crystallizes in the monoclinic space group P2(1)/n, with a 17.768(1) Angstrom, b = 25.252(2) Angstrom, c 11.213(1) Angstrom, beta = 92.83(1)degrees, Z = 4, and V = 4459.3(6) Angstrom(3). Reaction of Ru(CO)ClH(PPh(3))(3) or [Ru(CO)H(MeCN)(2)(PPh(3))(2)](PF6-)-P-+ with 2 equiv of diphosphines L-L led to [Ru(CO)H(L-L)(2)](+)A(-) (L-L = dppm, dppe, dppp) (A = Cl, PF6). Hydrides Ru(CO)ClH(PPh(3))(2)(L-L) react with 1-alkynes to give alkenyl complexes Ru(CO)Cl(CH=CHR)(PPh(3))(L-L) with a chelating diphosphine ligand. Ru(CO)ClH(PPh(3))(L-L) gave sigma-alkynyl complexes Ru(CO)Cl(C drop CR)L(L-L) directly in their reactions with 1-alkynes. The hydride with dppb as the ligand showed the highest reactivity. The preparation of hexaco ordinated alkenyl derivatives Ru(CO)Cl(CH=CHR)(PPh(3))(L-L) with a chelating diphosphine was carried out by treatment of other alkenyl derivatives with the diphosphines. Surprisingly, reaction of alkenyls Ru(CO)Cl(CH=CHR)(Me(2)Hpz)(PPh(3))(2) (R = CMe(3), p-MeC(6)H(4)) with dppf led to complexes Ru(CO)Cl(CH=CHR)(Me(2)Hpz)(dppf) by substitution of both PPh(3) ligands instead of the dimethylpyrazole. Ruthenium alkenyls Ru(CO)Cl(CH=CHR)L(dppf) (L = Me(2)Hpz, PPh(3)) react cleanly with 1-alkynes at room temperature to give alkynyl complexes Ru(CO)Cl(C drop CR)L(dppf) in good yield. This reaction was applied to the synthesis of a bimetallic complex Ru(CO)Cl(PPh(3))(dppf)(C drop C-p-C6H4C drop C)Ru(CO)Cl(PPh)(dppf) as a mixture of meso and dl diastereomers.

  DOI：

  10.1021/om00021a037
• 作为产物：
  描述：

  {Ru(CO)ClH(3,5-dimethylpyrazole)(PPh3)2} 、 3,3-二甲基-1-丁炔 以 二氯甲烷 为溶剂， 以75-80的产率得到(Ph3P)2(3,5-dimethylpyrazole)(CO)ClRuCHCHCMe3
  参考文献：
  名称：

  [Ru（CO）ClH（Me2Hpz）（PR3）2]（Me2Hpz = 3,5-二甲基吡唑; R = Ph，对甲苯基）与乙炔的反应。[Ru（CO）Cl（HC：CHCMe3）（Me2HPz）（PPh3）2]和[Ru（CO）（MeO2CC：CHCO2Me）（HCO3）（PPh3）2]的晶体结构

  摘要：

  DOI：

  10.1021/om00099a014