Tert-butyl 2-methyl-3-oxobutanoate
CAS No.:
39149-65-0
M. Wt:
172.22200
M. Fa:
C9H16O3
InChI Key:
QIFZMFUCASLNCC-UHFFFAOYSA-N
Names and Identifiers of Tert-butyl 2-methyl-3-oxobutanoate
CAS Number |
39149-65-0 |
|---|---|
EC Number |
834-710-4 |
IUPAC Name |
tert-butyl 2-methyl-3-oxobutanoate |
InChI |
InChI=1S/C9H16O3/c1-6(7(2)10)8(11)12-9(3,4)5/h6H,1-5H3 |
InChIKey |
QIFZMFUCASLNCC-UHFFFAOYSA-N |
Canonical SMILES |
CC(C(=O)C)C(=O)OC(C)(C)C |
Physical and chemical properties of Tert-butyl 2-methyl-3-oxobutanoate
Exact Mass |
172.11000 |
|---|---|
LogP |
1.55320 |
Molecular Formula |
C9H16O3 |
Molecular Weight |
172.22200 |
PSA |
43.37000 |
Safety Information of Tert-butyl 2-methyl-3-oxobutanoate
Applications of Tert-butyl 2-methyl-3-oxobutanoate
Tert-butyl 2-methyl-3-oxobutanoate finds applications in various fields:
- Pharmaceuticals: It serves as an intermediate in the synthesis of bioactive compounds, including antibiotics and anti-cancer agents.
- Synthetic Chemistry: Used as a reagent in organic synthesis for producing more complex molecules.
- Metabolic Studies: It is studied as a metabolite to understand metabolic pathways involving tert-butyl acetate.
Biological Activity of Tert-butyl 2-methyl-3-oxobutanoate
Tert-butyl 2-methyl-3-oxobutanoate has been studied for its biological activity, particularly as a metabolite of tert-butyl acetate. While specific pharmacological effects are less documented, compounds with similar structures often exhibit antimicrobial and anti-inflammatory properties. Its role as an intermediate in synthetic pathways may contribute to the development of biologically active molecules.
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