N-{[2-(diphenylphosphanyl)phenyl]methylidene}aniline

• ChemBase编号: 143330
• 分子式: C25H20NP
• 平均质量: 365.406761
• 单一同位素质量: 365.13333628
• SMILES: c1ccc(cc1)/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H20NP/c1-4-13-22(14-5-1)26-20-21-12-10-11-19-25(21)27(23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-20H
• InChIKey: DCVKIYDNMMCCBG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[2-(diphenylphosphanyl)phenyl]methylidene}aniline
• IUPAC传统名: N-{[2-(diphenylphosphanyl)phenyl]methylidene}aniline
• 别名: [2-[(环己亚胺)甲基]苯基]二苯基膦; N-[2-(二苯基膦)苯亚甲基]环己胺; [2-[(Cyclohexylimino)methyl]phenyl]diphenylphosphine; N-[2-(Diphenylphosphino)benzylidene]cyclohexylamine

登记号

• CAS号: 321155-13-9
• PubChem SID: 162237551
• PubChem CID: 5232605

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.3074617
• LogD (pH = 7.4): 7.3077955
• Log P: 7.3078
• 摩尔折射率: 116.9525 cm^3
• 极化性: 44.495235 Å^3
• 极化表面积: 12.36 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 116-120 °C

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C25H26NP

详细说明

Sigma Aldrich - 720038

包装
500 mg in glass bottle
Application
Catalyst for:
• Cross-coupling reactions1,2
• Stannylative cycloaddition of conjugated enynes3
• Stereo- and regioselective alkynylstannylation of alkynes4