DIMETHYL (TRIMETHYLSILYLOXYCARBONYLMETHYL)PHOSPHONATE

The Acetic acid,2-(dimethoxyphosphinyl)-, trimethylsilyl ester, with the CAS registry number 85169-29-5, is also known as Dimethyl(2-trimethylsilyloxycarbonylethyl)phosphonate. Its EINECS number is 285-972-6. This chemical's molecular formula is C₇H₁₇O₅PSi and molecular weight is 240.27. What's more, its IUPAC name is trimethylsilyl 2-dimethoxyphosphorylacetate.

Physical properties of Acetic acid,2-(dimethoxyphosphinyl)-, trimethylsilyl ester are: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.15; (6)ACD/BCF (pH 7.4): 1.15; (7)ACD/KOC (pH 5.5): 38.39; (8)ACD/KOC (pH 7.4): 38.39; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 71.64 Å²; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 55.33 cm³; (15)Molar Volume: 220.1 cm³; (16)Polarizability: 21.93×10^-24cm³; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 1.091 g/cm³; (19)Flash Point: 35.6 °C; (20)Enthalpy of Vaporization: 48.31 kJ/mol; (21)Boiling Point: 246 °C at 760 mmHg; (22)Vapour Pressure: 0.0278 mmHg at 25°C.

Uses of Acetic acid,2-(dimethoxyphosphinyl)-, trimethylsilyl ester: it can be used to produce 3-(1-adamantyl)-2-propenoic acid. It will need reagent n-butyllithium and solvents hexane, tetrahydrofuran with the reaction time of 1 hour. The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. You must not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you should avoid contact with skin.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COP(=O)(CC(=O)O[Si](C)(C)C)OC
(2)InChI: InChI=1S/C7H17O5PSi/c1-10-13(9,11-2)6-7(8)12-14(3,4)5/h6H2,1-5H3
(3)InChIKey: AOBJUHXMTGKIDR-UHFFFAOYSA-N