[(diphenylphosphanyl)methyl]diphenylphosphane; chlororutheniumylium; cyclopenta-2,4-dien-1-ide

• ChemBase编号: 143220
• 分子式: C30H27ClP2Ru
• 平均质量: 586.005902
• 单一同位素质量: 586.0320008
• SMILES: c1ccc(cc1)P(CP(c1ccccc1)c1ccccc1)c1ccccc1.C1=C[CH-]C=C1.Cl[Ru+]
• Canonical SMILES: [CH-]1C=CC=C1.c1ccc(cc1)P(c1ccccc1)CP(c1ccccc1)c1ccccc1.Cl[Ru+]
• InChI: InChI=1S/C25H22P2.C5H5.ClH.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-4-5-3-1;;/h1-20H,21H2;1-5H;1H;/q;-1;;+2/p-1
• InChIKey: BCWUZODDNYQZRM-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [(diphenylphosphanyl)methyl]diphenylphosphane; chlororutheniumylium; cyclopenta-2,4-dien-1-ide
• IUPAC传统名: [(diphenylphosphanyl)methyl]diphenylphosphane; chlororutheniumylium; cyclopentadienide
• 别名: 氯代(环戊二烯基)[双(二苯基膦)甲烷]钌(II); Chloro(cyclopentadienyl)[bis(diphenylphosphino)methane]ruthenium(II)

登记号

• CAS号: 71397-33-6
• MDL号: MFCD07782002
• PubChem SID: 162237441
• PubChem CID: 71310902

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.2909
• LogD (pH = 7.4): 7.2909
• Log P: 7.2909
• 摩尔折射率: 116.6195 cm^3
• 极化性: 46.516495 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 190-196 °C

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C30H27ClP2Ru

详细说明

Sigma Aldrich - 714941

包装
250 mg in glass bottle
Application
Catalyst for:
• Anti-Markovnikov hydration1
• β-alkylation with primary alcohols2
• Cyclization of terminal alkynals to cycloalkenes3
• Electrochemical oxidation of methanol4
• Hydration of 1-alkynes5
• Isomerization of allylic alcohols6