[phenyl(prop-2-en-1-yl)phosphoroso]benzene

• ChemBase编号: 151395
• 分子式: C15H15OP
• 平均质量: 242.252761
• 单一同位素质量: 242.08605173
• SMILES: C=CCP(=O)(c1ccccc1)c1ccccc1
• Canonical SMILES: C=CCP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H15OP/c1-2-13-17(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12H,1,13H2
• InChIKey: PGPAPANRSWMTQO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [phenyl(prop-2-en-1-yl)phosphoroso]benzene
• IUPAC传统名: [phenyl(prop-2-en-1-yl)phosphoroso]benzene
• 别名: 烯丙基联苯氧化膦; Diphenyl-2-propenylphosphine oxide; NSC 616249; NSC 98715; Allyldiphenylphosphine oxide

登记号

• CAS号: 4141-48-4
• MDL号: MFCD00013908
• PubChem SID: 24871431; 162245549
• PubChem CID: 138131

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.8845
• LogD (pH = 7.4): 3.8845
• Log P: 3.8845
• 摩尔折射率: 72.5065 cm^3
• 极化性: 28.661615 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: true

分子性质

理化性质

• 熔点: 110-114 °C(lit.)

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
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%
• 线性分子式: H2C=CHCH2P(C6H5)2(O)

详细说明

Sigma Aldrich - 477966

包装
10 g in glass bottle
Application
Reactant for:
• Preparaton of a-substituted alkylsilanes via regio- and chemoselective copper-catalyzed silylzincation and electrophilic substitution from terminal alkenes, and prepn. of α-substituted alcohols via Fleming-Tamao oxidation of alkylsilanes1
• Olefin isomerization with Grubbs′ catalysts occluded in a hydrophobic matrix of polydimethylsiloxane (PDMS)2
• C9-substituted trans-hydrindene via diastereotopic group-selective intramolecular Diels-Alder reaction3
• Isomerization of allyl group-containing compounds to propenyl group-containing compounds in the presence of a Grubbs second-generation Ru catalyst4
• Ruthenium-catalyzed olefin cross-metathesis of vinyl and allyl phosphine oxides to give alkenyl phosphine oxides and bis-phosphine oxides5