2-(dicyclohexylphosphanyl)-1-(2,4,6-trimethylphenyl)-1H-imidazole

• ChemBase编号: 141269
• 分子式: C24H35N2P
• 平均质量: 382.521861
• 单一同位素质量: 382.25378576
• SMILES: Cc1cc(c(c(c1)C)n1ccnc1P(C1CCCCC1)C1CCCCC1)C
• Canonical SMILES: Cc1cc(C)c(c(c1)C)n1ccnc1P(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C24H35N2P/c1-18-16-19(2)23(20(3)17-18)26-15-14-25-24(26)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h14-17,21-22H,4-13H2,1-3H3
• InChIKey: ZRVANNJGPCSNAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dicyclohexylphosphanyl)-1-(2,4,6-trimethylphenyl)-1H-imidazole
• IUPAC传统名: 2-(dicyclohexylphosphanyl)-1-(2,4,6-trimethylphenyl)imidazole
• 别名: 2-(二环己基膦)-1-均三甲苯基-1H-咪唑; 2-(二环己基膦)-1-(2,4,6-三甲基-苯基)-1H-咪唑; cataCXium® PICy; 2-(Dicyclohexylphosphino)-1-mesityl-1H-imidazole; 2-(Dicyclohexylphosphino)-1-(2,4,6-trimethyl-phenyl)-1H-imidazole

登记号

• CAS号: 794527-14-3
• MDL号: MFCD06658125
• Beilstein号: 9956113
• PubChem SID: 162235504
• PubChem CID: 53411819

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.7489915
• LogD (pH = 7.4): 6.5961056
• Log P: 6.6538
• 摩尔折射率: 126.543 cm^3
• 极化性: 46.118896 Å^3
• 极化表面积: 17.82 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

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

• 纯度: 95%
• Empirical Formula (Hill Notation): C24H35N2P

详细说明

Sigma Aldrich - 672122

General description
与 Solvias AG 合作销售
包装
1, 5 g in glass bottle
Legal Information
WO 2004/101581
法律信息
cataCXium 注册商标 Evonik Degussa GmbH
Application
Catalyst for coupling reactions of aryl chlorides1
Protocols & Applications
Efficient Suzuki Coupling with cataCXium Ligands and Complexes