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CAS No.: | 815-17-8 |
---|---|
Name: | 3,3-Dimethyl-2-oxobutyric acid |
Article Data: | 46 |
Molecular Structure: | |
Formula: | C6H10O3 |
Molecular Weight: | 130.144 |
Synonyms: | NSC 16648;Trimethylpyroracemic acid;Trimethylpyruvic acid;tert-Butylglyoxylic acid;Butyric acid,3,3-dimethyl-2-oxo- (6CI,7CI,8CI);Butyric acid, b,b-dimethyl-a-oxo-(4CI);2-Oxo-3,3-dimethylbutanoic acid;Trimethyl pyruvic acid; |
EINECS: | 212-418-2 |
Density: | 1.09 g/cm3 |
Melting Point: | 90.5oC |
Boiling Point: | 182.4 °C at 760 mmHg |
Flash Point: | 78.4 °C |
Solubility: | Soluble in water |
Hazard Symbols: | C |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 54.37000 |
LogP: | 0.68620 |
Conditions | Yield |
---|---|
With ruthenium(IV) oxide; oxygen; sodium hydroxide In water at 110℃; under 30003 Torr; for 8h; pH=12; pH-value; Pressure; Reagent/catalyst; Autoclave; Inert atmosphere; | 98% |
With bismuth(III) nitrate; sodium hydroxide; oxygen; 5%-palladium/activated carbon In water at 65 - 102.5℃; for 0.7 - 19h; | 61% |
With sodium hydroxide; lead(II) nitrate; oxygen; 5%-palladium/activated carbon In water at 95℃; for 8h; | 5% |
5-tert-butyl-5-hydroxy-1,3-diphenyl-2,4-imidazolinedione
trimethylpyruvic acid
Conditions | Yield |
---|---|
With water; sodium hydroxide In methanol at 20 - 50℃; for 1h; | 96% |
With methanol; sodium hydroxide at 20 - 55℃; for 2h; Temperature; | 85% |
2-hydroxy-3,3-dimethylbutanoic acid
A
trimethylpyruvic acid
B
Trimethylacetic acid
Conditions | Yield |
---|---|
With bismuth(III) nitrate; sodium hydroxide; oxygen; 5%-palladium/activated carbon In water at 95℃; for 2h; | A 90% B 7% |
Conditions | Yield |
---|---|
With sodium hydroxide; potassium permanganate In water at 0 - 22℃; for 3h; | 87% |
With sodium hydroxide; potassium permanganate In water at 0℃; for 5h; | 85% |
Stage #1: 3,3-dimethyl-butan-2-one With potassium permanganate; sodium hydroxide In water at 0 - 20℃; for 16.5h; Inert atmosphere; Schlenk technique; Stage #2: With hydrogenchloride In water Cooling; Inert atmosphere; Schlenk technique; | 83% |
Conditions | Yield |
---|---|
triethylamine In dichloromethane at 20 - 25℃; for 3h; | A n/a B 87% |
Conditions | Yield |
---|---|
triethylamine In dichloromethane at 20 - 25℃; for 60h; | A n/a B 79% |
6'-(tert-butyl)spiro3.7>decane-2,3'-1',2',4'-trioxan>-5'-one
A
2-Adamantanone
B
trimethylpyruvic acid
Conditions | Yield |
---|---|
triethylamine In dichloromethane at 20 - 25℃; for 16h; | A n/a B 73% |
Conditions | Yield |
---|---|
triethylamine In dichloromethane at 20 - 25℃; for 16h; | A n/a B 67% |
tert-butyl 3,3-dimethyl-2-oxobutanoate
trimethylpyruvic acid
Conditions | Yield |
---|---|
With trifluoroacetic acid at 0℃; for 1h; | 56% |
Conditions | Yield |
---|---|
With sodium hydroxide; potassium permanganate; water |
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Product Name: Trimethyl pyruvic acid (CAS NO.815-17-8)
Molecular Formula: C6H10O3
Molar mass: 130.1418g/mol
Density: 1.09 g/cm3
Appearance: needle-like crystals
Flash Point: 78.4 °C
Boiling Point: 182.4 °C at 760 mmHg
Index of Refraction: 1.439
Vapour Pressure: 0.374 mmHg at 25°C
Melting point: 90.5°C
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Trimethyl pyruvic acid (CAS NO.815-17-8):
IUPAC Name: 3,3-dimethyl-2-oxobutanoic acid
Canonical SMILES: CC(C)(C)C(=O)C(=O)O
InChI: InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)
InChIKey: IAWVHZJZHDSEOC-UHFFFAOYSA-N
Trimethyl pyruvic acid (CAS NO.815-17-8) can be used as an intermediate of herbicide: Metribuzin.
Join dichloro-pinacolone into the reactor, and add water and a certain amount of lye, and be heated, and then dropping sodium hypochlorite solution to be oxidatized at low temperatures and the presence of catalyst.Obtained the filtrate by filtering.
Safety Information of Trimethyl pyruvic acid (CAS NO.815-17-8):
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37: Wear suitable gloves
39: Wear eye/face protection
Trimethyl pyruvic acid , its CAS NO. is 815-17-8, the synonyms are tert-Butylglyoxylic acid ; 3,3-Dimethyl-2-oxobutanoic acid ; Butyric acid, 3,3-dimethyl-2-oxo- ; 3,3-Dimethyl-2-oxobutyric acid ; 3,3-Dimethyl-2-oxo-butanoic acid ; Butanoic acid, 3,3-dimethyl-2-oxo- ; Pyruvic acid, trimethyl- ; Glyoxylic acid, tert-butyl- .