di-tert-butylphosphane borane

• ChemBase编号: 141476
• 分子式: C8H22BP
• 平均质量: 160.045041
• 单一同位素质量: 160.15521773
• SMILES: B.CC(C)(C)PC(C)(C)C
• Canonical SMILES: CC(PC(C)(C)C)(C)C.B
• InChI: InChI=1S/C8H19P.BH3/c1-7(2,3)9-8(4,5)6;/h9H,1-6H3;1H3
• InChIKey: JPINHYFOWCBINQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: di-tert-butylphosphane borane
• IUPAC传统名: di-tert-butylphosphane borane
• 别名: 二叔丁基膦硼烷络合物 (1:1); 硼烷二-叔-丁基膦络合物; Di-tert-butylphosphine compound with borane (1:1); Borane di(tert-butyl)phosphine complex; (Di-tert-butylphosphine)trihydroboron; Di-tert-butylphosphine borane

登记号

• CAS号: 128363-76-8
• MDL号: MFCD03412071
• PubChem SID: 162235710
• PubChem CID: 22572032

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.4766455
• LogD (pH = 7.4): 1.4825238
• Log P: 1.4826
• 摩尔折射率: 45.0046 cm^3
• 极化性: 18.204153 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 59-64 °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

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C8H19P · BH3

详细说明

Sigma Aldrich - 691496

包装
1, 5 g in glass bottle
Application
Reactant for:
• Preparation of N-heterocyclic carbene borane complexes by Lewis base exchange reactions1
• Dehydrocoupling reactions2
• Tele-substitution reactions on fluorobenzenechromium complexes3
• Palladium-catalyzed biaryl-coupling reactions4
• Palladium-catalyzed Suzuki coupling5