dicyclohexyl({3,6-dimethoxy-2-[2,4,6-tris(propan-2-yl)phenyl]phenyl})phosphane

• ChemBase编号: 143463
• 分子式: C35H53O2P
• 平均质量: 536.767881
• 单一同位素质量: 536.37831757
• SMILES: CC(C)c1cc(c(c(c1)C(C)C)c1c(ccc(c1P(C1CCCCC1)C1CCCCC1)OC)OC)C(C)C
• Canonical SMILES: COc1ccc(c(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)P(C1CCCCC1)C1CCCCC1)OC
• InChI: InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3
• InChIKey: WDVGNXKCFBOKDF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dicyclohexyl({3,6-dimethoxy-2-[2,4,6-tris(propan-2-yl)phenyl]phenyl})phosphane
• IUPAC传统名: dicyclohexyl[3,6-dimethoxy-2-(2,4,6-triisopropylphenyl)phenyl]phosphane
• 别名: 2-(二环己基膦)3,6-二甲氧基-2′,4′,6′-三异丙基-1,1′-联苯; 2-Dicyclohexylphosphino-2',4',6'-triisopropyl-3,6-dimethoxybiphenyl; BrettPhos; 2-(Dicyclohexylphosphino)3,6-dimethoxy-2′,4′,6′-triisopropyl-1,1′-biphenyl

登记号

• CAS号: 1070663-78-3
• MDL号: MFCD11973797
• PubChem SID: 162237682
• PubChem CID: 25112535

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 9.787433
• LogD (pH = 7.4): 9.884402
• Log P: 9.8894
• 摩尔折射率: 164.6327 cm^3
• 极化性: 66.11947 Å^3
• 极化表面积: 18.46 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: 187-195 °C; 187-195°C
• 作为配体的用途: Buchwald-Hartwig Cross Coupling Reaction; Fluorinations

安全信息

• 保存注意事项: Air Sensitive
• 德国WGK号: nwg
• TSCA收录: 否

产品相关信息

• 纯度: 96%; 97+%
• Empirical Formula (Hill Notation): C35H53O2P

详细说明

Sigma Aldrich - 718742

包装
1, 5 g in glass bottle
100, 500 mg in glass bottle
Application
Buchwald Phosphine Ligands for chemical Synthesis