bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1H-imidazol-2-yl]copperylium; tetrafluoroboranuide

• ChemBase编号: 141396
• 分子式: C42H50BCuF4N4
• 平均质量: 761.2238128
• 单一同位素质量: 760.3360634
• SMILES: [B-](F)(F)(F)F.Cc1cc(c(c(c1)C)N1C=CN(C1[Cu+]C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C
• Canonical SMILES: F[B-](F)(F)F.Cc1cc(C)cc(c1N1C=CN(C1[Cu+]C1N(C=CN1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)C
• InChI: InChI=1S/2C21H25N2.BF4.Cu/c2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2-1(3,4)5;/h2*7-13H,1-6H3;;/q;;-1;+1
• InChIKey: KYKUFSRBHPLMIP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1H-imidazol-2-yl]copperylium; tetrafluoroboranuide
• IUPAC传统名: bis[1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-yl]copperylium tetrafluoroborate
• 别名: 双[1,3-双(2,4,6-三甲苯基)咪唑-2-亚基]铜(I) 四氟硼酸盐; Bis(1,3-bis(2,4,6-trimethylphenyl)-imidazol-2-ylidene)copper(I)trifluoroborate; Bis[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]copper(I) tetrafluoroborate

登记号

• PubChem SID: 162235630
• PubChem CID: 71310625

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 16.802778
• LogD (pH = 7.4): 16.8028
• Log P: 16.8028
• 摩尔折射率: 201.1902 cm^3
• 极化性: 77.13975 Å^3
• 极化表面积: 12.96 Å^2
• 可自由旋转的化学键: 6
• 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

• Empirical Formula (Hill Notation): C42H48BCuF4N4

详细说明

Sigma Aldrich - 696242

Application
用于羰基化合物氢化硅烷化反应的高效预催化剂。1
包装
1 g in poly bottle
250 mg in poly bottle