diethyl (prop-2-en-1-yl)phosphonate

• ChemBase编号: 74893
• 分子式: C7H15O3P
• 平均质量: 178.165961
• 单一同位素质量: 178.07588097
• SMILES: P(=O)(CC=C)(OCC)OCC
• Canonical SMILES: CCOP(=O)(CC=C)OCC
• InChI: InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3
• InChIKey: YPJHXRAHMUKXAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: diethyl (prop-2-en-1-yl)phosphonate
• IUPAC传统名: diethyl prop-2-en-1-ylphosphonate
• 别名: 烯丙基磷酸二乙酯; 烯丙基膦酸二乙酯; Diethylallylphosphonate; 2-Propenyl-phosphonic acid diethyl ester; Diethyl allylphosphonate

登记号

• CAS号: 1067-87-4
• MDL号: MFCD00015134
• PubChem SID: 24880237; 162039811
• PubChem CID: 573014

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.3446995
• LogD (pH = 7.4): 1.3446995
• Log P: 1.3446995
• 摩尔折射率: 44.9263 cm^3
• 极化性: 18.082176 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Liquid
• 沸点: 46 °C/0.35 mmHg(lit.); 63°C/2.5mm
• 闪点: >61°C(141°F)
• 密度: 1.0356
• 折射率: 1.4350; n20/D 1.4340(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: 23-26-37; 26-36
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: 96%; 98%
• 堆密度: 1.022 g/mL
• 线性分子式: CH2=CHCH2P(O)(OC2H5)2

详细说明

MP Biomedicals - 05214273

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 565415

包装
5 g in glass bottle
Application
Reactant for:
• Copolymerization of phosphonated allyl monomers and maleic anhydride1
• Enantioselective synthesis of solamin type mono-THF acetogenins2
• RCM reaction yielding oxaphospholene and oxaphosphinene heterocycles3
• Synthesis of spongistatin 2 using Wittig coupling4
• Stereoselective synthesis of pentacyclic furanosteroids5
• Preparation of protected polyhydroxylated β -amino acid constitutents of microsclerodermins6