4-(diphenylphosphanyl)-N,N-dimethylaniline

• ChemBase编号: 150471
• 分子式: C20H20NP
• 平均质量: 305.353261
• 单一同位素质量: 305.13333628
• SMILES: CN(C)c1ccc(cc1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(c1ccc(cc1)P(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C20H20NP/c1-21(2)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3
• InChIKey: GOEGBJDTWXTPHP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(diphenylphosphanyl)-N,N-dimethylaniline
• IUPAC传统名: 4-(diphenylphosphanyl)-N,N-dimethylaniline
• 别名: 4-(二甲氨基)三苯基膦; 4-(Dimethylamino)triphenylphosphine; 4-(Diphenylphosphino)-N,N-dimethyl-benzenamine; 4-(Diphenylphosphino)-N,N-dimethylaniline; 4-(Dimethylamino)phenyldiphenylphosphine

登记号

• CAS号: 739-58-2
• MDL号: MFCD00192068
• Beilstein号: 916331
• PubChem SID: 24864636; 162244632; 24864486
• PubChem CID: 3333592

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.2542357
• LogD (pH = 7.4): 5.3693166
• Log P: 5.371
• 摩尔折射率: 96.0515 cm^3
• 极化性: 37.14123 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 151-154 °C; 151-154 °C(lit.); 151-154°C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37-60
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥95.0% (GC); 95%; 96%
• 级别: purum
• 线性分子式: (CH3)2NC6H4P(C6H5)2

详细说明

Sigma Aldrich - 395021

包装
5 g in glass bottle
Application
Catalyst for:
• Preparation of dicyano(aryl)cyclohexenecarboxylic acid esters via regioselective annulation1
• Diastereoselective cycloaddition of styrenyl allenoates2
• Interfacial carbonylation of methylbenzyl bromide3
• Hydroformylation of octene4Reducing agent for selectivity of disulfide-internally linked peptide-nucleic acid cleavage5

Sigma Aldrich - 39280

Other Notes
可通过酸洗轻易地移除在 Wittig 和 Mitsunobu 反应中形成的氧化膦反应产物6,7
Application
Catalyst for:
• Preparation of dicyano(aryl)cyclohexenecarboxylic acid esters via regioselective annulation1
• Diastereoselective cycloaddition of styrenyl allenoates2
• Interfacial carbonylation of methylbenzyl bromide3
• Hydroformylation of octene4Reducing agent for selectivity of disulfide-internally linked peptide-nucleic acid cleavage5