TRIMETHYL 2-PHOSPHONOACRYLATE

The 2-Propenoic acid,2-(dimethoxyphosphinyl)-, methyl ester, with the CAS registry number 55168-74-6, is also known as Methyl 2-(dimethoxyphosphinyl)acrylate. Its EINECS number is 259-508-8. This chemical's molecular formula is C₆H₁₁O₅P and molecular weight is 194.12. What's more, its systematic name is Methyl 2-(dimethoxyphosphoryl)prop-2-enoate.

Physical properties of 2-Propenoic acid,2-(dimethoxyphosphinyl)-, methyl ester are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.3; (6)ACD/BCF (pH 7.4): 1.3; (7)ACD/KOC (pH 5.5): 42.1; (8)ACD/KOC (pH 7.4): 42.1; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 71.64 Å²; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 41.55 cm³; (15)Molar Volume: 162.8 cm³; (16)Polarizability: 16.47×10^-24 cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.192 g/cm³; (19)Flash Point: 105 °C; (20)Enthalpy of Vaporization: 49.65 kJ/mol; (21)Boiling Point: 258.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0134 mmHg at 25°C.

Uses of 2-Propenoic acid,2-(dimethoxyphosphinyl)-, methyl ester: it can be used to produce 2-(dimethoxy-phosphoryl)-non-5-enoic acid methyl ester at the temperature of 0 °C. It will need reagent 1.5 M EtAlCl2 and solvents hexane, CH2Cl2 with the reaction time of 1 hour. The yield is about 61%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C(=C)P(=O)(OC)OC
(2)InChI: InChI=1S/C6H11O5P/c1-5(6(7)9-2)12(8,10-3)11-4/h1H2,2-4H3
(3)InChIKey: HRTGCDRCJQKACR-UHFFFAOYSA-N