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3,3-Dimethyl-2-oxobutyric acid

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Name

3,3-Dimethyl-2-oxobutyric acid

EINECS 212-418-2
CAS No. 815-17-8 Density 1.09 g/cm3
PSA 54.37000 LogP 0.68620
Solubility Soluble in water Melting Point 90.5oC
Formula C6H10O3 Boiling Point 182.4 °C at 760 mmHg
Molecular Weight 130.144 Flash Point 78.4 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 815-17-8 (3,3-Dimethyl-2-oxobutyric acid) Hazard Symbols C
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;

Article Data 46

3,3-Dimethyl-2-oxobutyric acid 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

3,3-Dimethyl-2-oxobutyric acid Chemical Properties

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

3,3-Dimethyl-2-oxobutyric acid Uses

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

3,3-Dimethyl-2-oxobutyric acid 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.

3,3-Dimethyl-2-oxobutyric acid 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

3,3-Dimethyl-2-oxobutyric acid 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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