BIS(TRIMETHYLSILYL) MALONATE

The Propanedioic acid,1,3-bis(trimethylsilyl) ester, with the CAS registry number 18457-04-0, is also known as Malonic acid bis(trimethylsilyl ester). It belongs to the product categories of Si (Classes of Silicon Compounds); Silicon Compounds (for Synthesis); Silyl Esters; Si-O Compounds; Synthetic Organic Chemistry. Its EINECS registry number is 242-342-5. This chemical's molecular formula is C₉H₂₀O₄Si₂ and molecular weight is 248.42. Its systematic name is called bis(trimethylsilyl) propanedioate. This chemical is clear colorless to straw colored liquid.

Physical properties of Propanedioic acid,1,3-bis(trimethylsilyl) ester: (1)ACD/LogP: 2.39; (2)ACD/LogD (pH 5.5): 2.39; (3)ACD/LogD (pH 7.4): 2.39; (4)ACD/BCF (pH 5.5): 38.77; (5)ACD/BCF (pH 7.4): 38.77; (6)ACD/KOC (pH 5.5): 477.13; (7)ACD/KOC (pH 7.4): 477.12; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.42; (11)Molar Refractivity: 64.72 cm³; (12)Molar Volume: 255.5 cm³; (13)Surface Tension: 22.7 dyne/cm; (14)Density: 0.972 g/cm³; (15)Flash Point: 65.3 °C; (16)Enthalpy of Vaporization: 46.93 kJ/mol; (17)Boiling Point: 232.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0585 mmHg at 25°C.

Preparation: this chemical can be prepared by chloro-trimethyl-silane and malonic acid. This reaction will need reagent pyridine and solvent diethyl ether. The reaction time is 2 hours with reaction temperature of 20 °C. The yield is about 81%.

Uses of Propanedioic acid,1,3-bis(trimethylsilyl) ester: it can be used to produce 3-oxo-3-phenyl-propionic acid. This reaction will need reagent BuLi and solvent diethyl ether and hexane with reaction time of 10 min. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. It is highly flammable. You should keep it away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
(2)InChI: InChI=1/C9H20O4Si2/c1-14(2,3)12-8(10)7-9(11)13-15(4,5)6/h7H2,1-6H3
(3)InChIKey: ATCKJLDGNXGLAO-UHFFFAOYAW