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815-17-8

Basic Information
CAS No.: 815-17-8
Name: 3,3-Dimethyl-2-oxobutyric acid
Article Data: 46
Molecular Structure:
Molecular Structure of 815-17-8 (3,3-Dimethyl-2-oxobutyric acid)
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
Synthetic route
4026-20-4

2-hydroxy-3,3-dimethylbutanoic acid

815-17-8

trimethylpyruvic acid

Conditions
ConditionsYield
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%
1352131-48-6

5-tert-butyl-5-hydroxy-1,3-diphenyl-2,4-imidazolinedione

815-17-8

trimethylpyruvic acid

Conditions
ConditionsYield
With water; sodium hydroxide In methanol at 20 - 50℃; for 1h;96%
With methanol; sodium hydroxide at 20 - 55℃; for 2h; Temperature;85%
4026-20-4

2-hydroxy-3,3-dimethylbutanoic acid

A

815-17-8

trimethylpyruvic acid

B

75-98-9

Trimethylacetic acid

Conditions
ConditionsYield
With bismuth(III) nitrate; sodium hydroxide; oxygen; 5%-palladium/activated carbon In water at 95℃; for 2h;A 90%
B 7%
75-97-8

3,3-dimethyl-butan-2-one

815-17-8

trimethylpyruvic acid

Conditions
ConditionsYield
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%

6-tert-Butyl-3-methyl-[1,2,4]trioxan-5-one

A

75-07-0

acetaldehyde

B

815-17-8

trimethylpyruvic acid

Conditions
ConditionsYield
triethylamine In dichloromethane at 20 - 25℃; for 3h;A n/a
B 87%
88919-73-7

6'-(tert-butyl)spiro-5'-one

A

108-94-1

cyclohexanone

B

815-17-8

trimethylpyruvic acid

Conditions
ConditionsYield
triethylamine In dichloromethane at 20 - 25℃; for 60h;A n/a
B 79%
88919-77-1

6'-(tert-butyl)spiro3.7>decane-2,3'-1',2',4'-trioxan>-5'-one

A

700-58-3

2-Adamantanone

B

815-17-8

trimethylpyruvic acid

Conditions
ConditionsYield
triethylamine In dichloromethane at 20 - 25℃; for 16h;A n/a
B 73%

3,6-Di-tert-butyl-[1,2,4]trioxan-5-one

A

630-19-3

pivalaldehyde

B

815-17-8

trimethylpyruvic acid

Conditions
ConditionsYield
triethylamine In dichloromethane at 20 - 25℃; for 16h;A n/a
B 67%
75716-88-0

tert-butyl 3,3-dimethyl-2-oxobutanoate

815-17-8

trimethylpyruvic acid

Conditions
ConditionsYield
With trifluoroacetic acid at 0℃; for 1h;56%
75-97-8

3,3-dimethyl-butan-2-one

A

815-17-8

trimethylpyruvic acid

B

75-98-9

Trimethylacetic acid

Conditions
ConditionsYield
With sodium hydroxide; potassium permanganate; water
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Chemistry

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

Uses

 Trimethyl pyruvic acid (CAS NO.815-17-8) can be used  as an intermediate of herbicide: Metribuzin.

Production

 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 Profile

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

Specification

 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- .

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