ETHYL 3-(TRIMETHYLSILYL)PROPIONATE

The CAS registry number of Propanoic acid,3-(trimethylsilyl)-, ethyl ester is 17728-88-0. It belongs to the product categories of Carbonyl Compounds; Esters. This chemical is also named as NSC96818. In addition, its molecular formula is C₈H₁₈O₂Si and molecular weight is 174.31. Its IUPAC name is called ethyl 3-trimethylsilylpropanoate.

Physical properties about Propanoic acid,3-(trimethylsilyl)-, ethyl ester are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.41; (7)Molar Refractivity: 49.6 cm³; (8)Molar Volume: 199.8 cm³; (9)Surface Tension: 22.3 dyne/cm; (10)Density: 0.872 g/cm³; (11)Flash Point: 53.9 °C; (12)Enthalpy of Vaporization: 41.62 kJ/mol; (13)Boiling Point: 180 °C at 760 mmHg; (14)Vapour Pressure: 0.917 mmHg at 25°C.

Preparation: this chemical can be prepared by acetoacetic acid ethyl ester and iodomethyl-trimethyl-silane. This reaction is a kind of Substitution. It will need reagent sodium and solvent ethanol. The reaction time is 36 hours by heating. The yield is about 50 %.

Uses of Propanoic acid,3-(trimethylsilyl)-, ethyl ester: it can be used to produce 3-(trimethylsilyl)propionohydroxamic acid at temperature of 0 °C. It will need reagent NH₂OH and solvent methanol. The yield is about 45 %.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. You should avoid contacting it with skin and eyes. Finally, you must not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC[Si](C)(C)C
(2)InChI: InChI=1/C8H18O2Si/c1-5-10-8(9)6-7-11(2,3)4/h5-7H2,1-4H3
(3)InChIKey: JCANPYOQOFSGFD-UHFFFAOYAB