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74685-00-0

Basic Information
CAS No.: 74685-00-0
Name: 1-(TERT-BUTYLDIMETHYLSILYLOXY)-2-PROPANONE
Article Data: 29
Molecular Structure:
Molecular Structure of 74685-00-0 (1-(TERT-BUTYLDIMETHYLSILYLOXY)-2-PROPANONE)
Formula: C9H20O2Si
Molecular Weight: 188.342
Synonyms: 1-[(tert-Butyl)dimethylsiloxy]-2-propanone;1-[(tert-Butyldimethylsilyl)oxy]-2-propanone;1-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}acetone;1-{[tert-Butyl(dimethyl)silyl]oxy}acetone;
Density: 0.87 g/cm3
Boiling Point: 186.36 °C at 760 mmHg
Flash Point: 55.396 °C
PSA: 26.30000
LogP: 2.59720
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Specification

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: 26.3Å2; (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%.

2-Propanone,1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- is prepared by reaction of tert-butyl-chloro-dimethyl-silane with 1-hydroxy-propan-2-one.

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%.

2-Propanone,1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- is used to produce 2-(tert-butyl-dimethyl-silanyloxymethyl)-2,4,4-trimethyl-oxazolidine.

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