1-(TERT-BUTYLDIMETHYLSILYLOXY)-2-PROPANONE

The 2-Propanone,1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- with CAS registry number of 74685-00-0 is also known as 1-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}acetone. The systematic name is 1-[tert-Butyl(dimethyl)silyl]oxypropan-2-one. It belongs to product categories of C9; Carbonyl Compounds; Ketones. In addition, the formula is C₉H₂₀O₂Si and the molecular weight is 188.34.

Physical properties about 2-Propanone,1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.338; (4)ACD/LogD (pH 7.4): 2.338; (5)ACD/BCF (pH 5.5): 35.257; (6)ACD/BCF (pH 7.4): 35.257; (7)ACD/KOC (pH 5.5): 445.795; (8)ACD/KOC (pH 7.4): 445.795; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3Ų; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 54.202 cm³; (15)Molar Volume: 216.363 cm³; (16)Polarizability: 21.488×10^-24cm³; (17)Surface Tension: 22.116 dyne/cm; (18)Density: 0.87 g/cm³; (19)Flash Point: 55.396 °C; (20)Enthalpy of Vaporization: 42.258 kJ/mol; (21)Boiling Point: 186.36 °C at 760 mmHg; (22)Vapour Pressure: 0.665 mmHg at 25 °C.

Preparation of 2-Propanone,1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-: it is prepared by reaction of tert-butyl-chloro-dimethyl-silane with 1-hydroxy-propan-2-one. The reaction needs reagent imidazole and solvent dimethylformamide at 20 °C for 16 hours. The yield is about 83%.

Uses of 2-Propanone,1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-: it is used to produce 2-(tert-butyl-dimethyl-silanyloxymethyl)-2,4,4-trimethyl-oxazolidine. The reaction occurs with reagent toluene-p-sulfonic acid monohydrate and solvent toluene with other condition of heating. The yield is about 61%.

You can still convert the following datas into molecular structure:
1. SMILES: CC(=O)CO[Si](C)(C)C(C)(C)C
2. InChI: InChI=1/C9H20O2Si/c1-8(10)7-11-12(5,6)9(2,3)4/h7H2,1-6H3
3. InChIKey: LHYDYTSJUGPFLA-UHFFFAOYAV
4. Std. InChI: InChI=1S/C9H20O2Si/c1-8(10)7-11-12(5,6)9(2,3)4/h7H2,1-6H3
5. Std. InChIKey: LHYDYTSJUGPFLA-UHFFFAOYSA-N