2-hydroxy-1,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ide; dirutheniumylium; tetrakis(methanidylidyneoxidanium); tetraphenylcyclopenta-2,4-dien-1-one

• ChemBase编号: 140147
• 分子式: C62H41O6Ru2
• 平均质量: 1084.12534
• 单一同位素质量: 1085.09901203
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(cc1)C1=C(C(=O)C(=C1c1ccccc1)c1ccccc1)c1ccccc1.c1ccc(cc1)C1=C([C-](C(=C1c1ccccc1)O)c1ccccc1)c1ccccc1.[Ru][Ru+]
• Canonical SMILES: O=C1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.OC1=C(c2ccccc2)C(=C([C-]1c1ccccc1)c1ccccc1)c1ccccc1.[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Ru+][Ru]
• InChI: InChI=1S/C29H21O.C29H20O.4CO.2Ru/c2*30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;4*1-2;;/h1-20,30H;1-20H;;;;;;/q-1;;;;;;;+1
• InChIKey: UISXRNTZEGTPQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydroxy-1,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ide; dirutheniumylium; tetrakis(methanidylidyneoxidanium); tetraphenylcyclopenta-2,4-dien-1-one
• IUPAC传统名: 2-hydroxy-1,3,4,5-tetraphenylcyclopenta-2,4-dien-1-ide; tetrakis(carbon monoxide); dirutheniumylium; tetraphenylcyclopentadienone
• 别名: 2,4-环戊二烯-1-酮 2,3,4,5-四苯基钌络合物; Shvo 催化剂; 四羰基-μ-氢[(1,2,3,4,5-H)-1-羟基-2,3,4,5-四苯基-2,4-环戊二烯-1-yl][(1,2,3,4,5-H)-1-羟基-2,3,4,5-四苯基-2,4-环戊二烯-1-基]二钌; 1-羟基四苯基-环戊二烯基(四苯基-2,4-环戊二烯-1-酮)-μ-氢四羰基二钌(II); 2,4-Cyclopentadien-1-one, 2,3,4,5-tetraphenyl-, ruthenium complex; Shvo’s Catalyst; Tetracarbonyl-μ-hydro[(1,2,3,4,5-H)-1-hydroxylato-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl][(1,2,3,4,5-H)-1-hydroxy-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-yl]diruthenium; 1-Hydroxytetraphenyl-cyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II)

登记号

• CAS号: 104439-77-2
• PubChem SID: 24884974; 162234391
• PubChem CID: 71310379

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.407245
• LogD (pH = 7.4): 7.407245
• Log P: 7.407245
• 摩尔折射率: 123.4912 cm^3
• 极化性: 47.64242 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 223-227 °C

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C62H42O6Ru2

详细说明

Sigma Aldrich - 668281

Application
已发现多种用途，如作为有机合成的多功能催化剂，有机合成反应包括醛和酮的还原反应生成醇，醛的双分子歧化反应生成酯，烯丙醇的异构化反应以及醇的氧化反应。1,2
Shvo’s Catalyst
包装
100, 500 mg in glass bottle