| Identification | More | [Name]
3,3-Dimethyl-2-oxobutyric acid | [CAS]
815-17-8 | [Synonyms]
3,3-DIMETHYL-2-OXO-BUTANOIC ACID
RARECHEM AL BO 2323
TRIMETHYLPYRUVIC ACID
3,3-dimethyl-2-oxo-butanoicaci
3,3-Dimethyl-2-oxobutyric acid
3,3-dimethyl-2-oxo-butyricaci
3,3-dimethyl-2-oxobutyricacid
Butyric acid, 3,3-dimethyl-2-oxo-
Glyoxylic acid, tert-butyl-
Pyruvic acid, trimethyl-
tert-butylglyoxylicacid
3.3-dimethyl-2-one-butanoicacid
ca.60%aq.soln.
3,3-dimethyl-2-oxobutyric acid, ca 60% aq. soln.
TRIMETHYLPYRUVIC ACID: CA. 60% AQUEOUS SOLUTION
Trimethylpyruvic acid, ca 60% aq. soln.
2-Oxo-3,3-dimethylbutyric acid
NSC-16648 | [EINECS(EC#)]
212-418-2 | [Molecular Formula]
C6H10O3 | [MDL Number]
MFCD00154352 | [Molecular Weight]
130.14 | [MOL File]
815-17-8.mol |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
3261 | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
2918300090 | [Hazardous Substances Data]
815-17-8(Hazardous Substances Data) |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Sodium hypochlorite-->2-hydroxy-3,3-dimethylbutyric acid-->2,4-Imidazolidinedione, 5-(1,1-dimethylethyl)-5-hydroxy-1,3-diphenyl--->Pinacolone-->ethyl 3,3-dimethyl-2-oxobutanoate-->AKOS AKM00108-->Pivalic acid-->1-HYDROXY-3,3-DIMETHYLBUTAN-2-ONE-->1,1-DICHLOROPINACOLIN | [Preparation Products]
3-thio-4-amino-6-t-butyl-1，2，4-triazine-5-one-->Pivaldehyde-->D-tert-Butylglycine-->2-Adamantanone-->Acetaldehyde-->Cyclohexanone-->BIS(TERT-BUTYLCARBONYLOXY)IODOBENZENE 97-->4-Amino-6-(tert-butyl)-3-mercapto-1,2,4-triazin-5(4H)-one |
| Hazard Information | Back Directory | [Uses]
3,?3-?Dimethyl-?2-?oxobutyric acid was used as an inhibitor in a study for tuberculosis,as it was analyzed for its binding affinity to pantothenate synthetase (PS)?, an essential metabolic enzyme in the pantothenate biosynthetic. | [Definition]
ChEBI:3,3-dimethyl-2-oxobutanoic acid is a 2-oxo monocarboxylic acid that is 3,3-dimethylbutyric acid substituted by an oxo group at position 2. It is functionally related to a 3,3-dimethylbutyric acid. | [Synthesis]
The general procedure for the synthesis of trimethylpyruvic acid (DOBA) from 2-hydroxy-3,3-dimethylbutyric acid (DHBA) is as follows:
1. dissolve 0.1 mol (13.2 g) of 3,3-dimethyl-2-hydroxybutyric acid (DHBA) in 100 mL of 5 N sodium hydroxide solution (containing 5 mol NaOH/mol DHBA).
2. 5 x 10^-4 mol Bi(NO3)3/mol DHBA was added as an additive and the reaction mixture was heated to about 100 °C at atmospheric pressure in the presence of 1 g of activated carbon containing 5 wt. % palladium (pharmaceutical charcoal) until about 1,300 mL of oxygen (about 0.535 mol O2/mol DHBA) was absorbed.
3. The reaction times and results of 3,3-dimethyl-2-oxobutyric acid (DOBA) yields determined by polarography are summarized in Table 2.
Following the procedure of Example 1, 0.1 mol (13.2 g) of 3,3-dimethyl-2-hydroxybutyric acid (DHBA) was dissolved in 100 mL of sodium hydroxide solution at various concentrations, 5 x 10^-4 mol Bi(NO3)3/mol DHBA was added as an activator, and the reaction was carried out in the presence of 1 g of activated charcoal containing 5 wt. % palladium at 95 °C and atmospheric pressure until about 1,300 mL of oxygen (about 0.535 mol O2/mol DHBA) was absorbed. The reaction time and DOBA yield results are summarized in Table 3.
Example 16 is a control experiment in which no super stoichiometric base was used. | [References]
[1] Patent: US2004/30186, 2004, A1. Location in patent: Page 4
[2] Patent: US2004/30186, 2004, A1. Location in patent: Page 3-4
[3] Patent: US2004/30186, 2004, A1. Location in patent: Page 3-4
[4] Patent: US2004/30186, 2004, A1. Location in patent: Page 3-4
[5] Patent: US5091568, 1992, A |
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