ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-λ5-phosphanylidene)butanoate

• ChemBase编号: 146340
• 分子式: C24H20F3O3P
• 平均质量: 444.3827706
• 单一同位素质量: 444.11021579
• SMILES: CCOC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C(F)(F)F
• Canonical SMILES: CCOC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C(F)(F)F
• InChI: InChI=1S/C24H20F3O3P/c1-2-30-23(29)21(22(28)24(25,26)27)31(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
• InChIKey: SJRZIGQAQSIDDY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-λ^5-phosphanylidene)butanoate
• IUPAC传统名: ethyl 4,4,4-trifluoro-3-oxo-2-(triphenyl-λ^5-phosphanylidene)butanoate
• 别名: 4,4,4-三氟-2-(三苯基正膦亚基)乙酰乙酸乙酯; Ethyl 4,4,4-trifluoro-2-(triphenylphosphoranylidene)acetoacetate

登记号

• CAS号: 83961-56-2
• MDL号: MFCD00192168
• PubChem SID: 162240538; 24864729
• PubChem CID: 5068679

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 8.4238
• LogD (pH = 7.4): 8.4238
• Log P: 8.4238
• 摩尔折射率: 114.0436 cm^3
• 极化性: 43.476826 Å^3
• 极化表面积: 43.37 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: 128-130 °C(lit.)

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%
• 线性分子式: CF3COC[=P(C6H5)3]CO2C2H5

详细说明

Sigma Aldrich - 398217

包装
5 g in glass bottle
Application

• Catalyst for preparation of solvent and aqueous-borne polyolefin coatings obtained by catalytic polymerization1
• Used as ligand in synthesis nickel phosphanylenolate complex-catalyzed ethylene oligomerization and polymerization reactions2