1,3-bis[2,6-bis(propan-2-yl)phenyl]-2,3-dihydro-1H-imidazol-2-ylidene

• ChemBase编号: 141608
• 分子式: C27H36N2
• 平均质量: 388.58814
• 单一同位素质量: 388.28784916
• SMILES: CC(C)c1cccc(c1N1C=CN([C]1)c1c(cccc1C(C)C)C(C)C)C(C)C
• Canonical SMILES: CC(c1cccc(c1N1C=CN([C]1)c1c(cccc1C(C)C)C(C)C)C(C)C)C
• InChI: InChI=1S/C27H36N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-16,18-21H,1-8H3
• InChIKey: VYCIHDBIKGRENI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3-bis[2,6-bis(propan-2-yl)phenyl]-2,3-dihydro-1H-imidazol-2-ylidene
• IUPAC传统名: 1,3-bis(2,6-diisopropylphenyl)-2H-imidazol-2-ylidene
• 别名: 1,3-双(2,6-二异丙基苯基)咪唑-2-亚基; 1,3-双(2,6-二异丙基苯基)咪唑-2-烯; Ipr; 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene; 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene

登记号

• CAS号: 244187-81-3
• MDL号: MFCD07781991
• PubChem SID: 162235842
• PubChem CID: 11271730

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.4259925
• LogD (pH = 7.4): 8.007486
• Log P: 9.02245
• 摩尔折射率: 127.2502 cm^3
• 极化性: 48.07216 Å^3
• 极化表面积: 6.48 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: 213-217 °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
• 保存温度: -20°C

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C27H36N2

详细说明

Sigma Aldrich - 696196

Application
Ligand for Pd complexes for amination reaction of aryl halides; used as C-C bond formation reaction, e.g. Kumada-Tamao-Corriu reaction, Suzuki coupling, and Stille coupling.
包装
1 g in glass bottle
250 mg in glass bottle