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| CAS No.: | 18457-04-0 |
|---|---|
| Name: | BIS(TRIMETHYLSILYL) MALONATE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C9H20O4Si2 |
| Molecular Weight: | 248.426 |
| Synonyms: | Malonicacid, bis(trimethylsilyl) ester (8CI);Propanedioic acid, bis(trimethylsilyl)ester (9CI);Silanol, trimethyl-, malonate (2:1) (8CI);Bis(trimethylsilyl)malonate; |
| EINECS: | 242-342-5 |
| Density: | 0.974 g/mL at 25 °C(lit.) |
| Melting Point: | 56 °C |
| Boiling Point: | 232.6 °C at 760 mmHg |
| Flash Point: | 65.3 °C |
| Appearance: | clear colorless to straw colored liquid |
| Hazard Symbols: |
 F
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| Risk Codes: | 11 |
| Safety: | 16 |
| Transport Information: | UN 3272 3 |
| PSA: | 52.60000 |
| LogP: | 2.13270 |
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Specification
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%.
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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%.
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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