tert-butyldiphenylphosphane

• ChemBase编号: 139400
• 分子式: C16H19P
• 平均质量: 242.295821
• 单一同位素质量: 242.12243724
• SMILES: CC(C)(C)P(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(P(c1ccccc1)c1ccccc1)(C)C
• InChI: InChI=1S/C16H19P/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
• InChIKey: QZUPHAGRBBOLTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyldiphenylphosphane
• IUPAC传统名: tert-butyldiphenylphosphane
• 别名: 叔丁基二苯基膦; NSC 244302; tert-Butyldiphenylphosphine

登记号

• CAS号: 6002-34-2
• EC号: 227-848-6
• MDL号: MFCD00015004
• PubChem SID: 162233648; 24881351
• PubChem CID: 80102

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.2587
• LogD (pH = 7.4): 4.2587
• Log P: 4.2587
• 摩尔折射率: 75.6509 cm^3
• 极化性: 30.095453 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 52-57 °C(lit.)
• 沸点: 144-146 °C/2 mmHg(lit.)
• 闪点: >110 °C; >230 °F

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: 97%
• 线性分子式: (C6H5)2PC(CH3)3

详细说明

Sigma Aldrich - 591688

包装
1, 5 g in glass bottle
Application
Catalyst for:
• Nickel/Lewis acid-catalyzed carbocyanation of alkynes with acetonitrile or substituted acetonitriles1
• Palladium catalyzed hydrocarboxylation of acetylene with carbon monoxide to acrylic acid under mild conditions2
• Palladium to form a catalyst for methoxycarbonylation reactions3
• Ru-catalyzed transfer hydrogenation in reductive coupling of disubstituted allenes with aldehydes4
• Stereoselective silylation by dehydrogenative Si-O coupling with Si-stereogenic silanes5
• Phosphine ligand in nickel-catalyzed carbocyanation of alkynes6
• Monodentate P-Donor Ligands (LKB-P)7