methanidylidyneoxidanium methanol bis(triphenylphosphane) [(trifluoroacetyl)oxy]ruthenio 2,2,2-trifluoroacetate

• ChemBase编号: 141184
• 分子式: C42H34F6O6P2Ru
• 平均质量: 911.7237012
• 单一同位素质量: 912.07783039
• SMILES: CO.[C-]#[O+].c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.C(=O)(C(F)(F)F)O[Ru]OC(=O)C(F)(F)F
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.O=C(C(F)(F)F)O[Ru]OC(=O)C(F)(F)F.OC.[O+]#[C-]
• InChI: InChI=1S/2C18H15P.2C2HF3O2.CH4O.CO.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-2(4,5)1(6)7;2*1-2;/h2*1-15H;2*(H,6,7);2H,1H3;;/q;;;;;;+2/p-2
• InChIKey: GQNGUAPNKNMOTM-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: methanidylidyneoxidanium methanol bis(triphenylphosphane) [(trifluoroacetyl)oxy]ruthenio 2,2,2-trifluoroacetate
• IUPAC传统名: carbon monoxide methanol bis(triphenylphosphine) [(trifluoroacetyl)oxy]ruthenio 2,2,2-trifluoroacetate
• 别名: 双(三氟乙酸)双(三苯基膦)羰基钌; 双(三氟乙酸)羰基双(三苯基膦)钌(II)甲醇加合物; Carbonylbis(trifluoroacetato)bis(triphenylphosphine)ruthenium; Bis(trifluoroacetato)carbonylbis(triphenylphosphine)ruthenium(II) methanol adduct

登记号

• MDL号: MFCD06658132
• PubChem SID: 162235419
• PubChem CID: 71310578

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• 摩尔折射率: 81.6229 cm^3
• 极化性: 32.34495 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 236-237 °C

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• Empirical Formula (Hill Notation): C41H30F6O5P2Ru

详细说明

Sigma Aldrich - 701785

Application
用作 2-丁炔加氢酰化反应的催化剂。1 也可用于醇或醛的乙烯化反应。2
包装
100, 500 mg in glass bottle