2-(triphenyl-λ5-phosphanylidene)propanal

• ChemBase编号: 151423
• 分子式: C21H19OP
• 平均质量: 318.348721
• 单一同位素质量: 318.11735186
• SMILES: CC(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C=O
• Canonical SMILES: O=CC(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C21H19OP/c1-18(17-22)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3
• InChIKey: VHUQEFAWBCDBSC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(triphenyl-λ^5-phosphanylidene)propanal
• IUPAC传统名: 2-(triphenyl-λ^5-phosphanylidene)propanal
• 别名: 2-(三苯基正膦基)丙醛; 1-Formylethylidenetriphenylphosphorane; 2-(Triphenylphosphoranylidene)propionaldehyde

登记号

• CAS号: 24720-64-7
• MDL号: MFCD00075596
• PubChem SID: 24863304; 162245577
• PubChem CID: 4280987

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.7111
• LogD (pH = 7.4): 5.7111
• Log P: 5.7111
• 摩尔折射率: 97.2311 cm^3
• 极化性: 38.11993 Å^3
• 极化表面积: 17.07 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: 219-221 °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: 98%
• 线性分子式: (C6H5)3P=C(CH3)CHO

详细说明

Sigma Aldrich - 374377

包装
1, 10 g in glass bottle
Application
Reactant for:
• Preparation of acitretin analogs with antitumor activity1
• Stereoselective synthesis of essential building blocks of phorboxazole A via hetero Diels-Alder and stereoselective hetero-Michael addition/equilibration2
• Preparation of C1-C14 fragment of sarcoglaucol-16-one via Z-selective ando-type Horner-Wadsworth-Emmons olefination3
• Wittig reactions4
• Synthesis of ring-expanded and epothilone-hybridized macrosphelide analogs as apoptosis-inducing agents5
• Preparation of phosphonic acid-containing analogs of mycophenolic acid as inhibitors of IMPDH6