2-methylbutan-2-yl 3-oxobutanoate

Modify Date: 2025-11-03 15:51:03

2-methylbutan-2-yl 3-oxobutanoate Structure
2-methylbutan-2-yl 3-oxobutanoate structure
Common Name 2-methylbutan-2-yl 3-oxobutanoate
CAS Number 13562-83-9 Molecular Weight 172.22200
Density N/A Boiling Point N/A
Molecular Formula C9H16O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 2-methylbutan-2-yl 3-oxobutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C9H16O3
Molecular Weight 172.22200
Exact Mass 172.11000
PSA 43.37000
LogP 1.69730
InChIKey QCUOCXSVXRRMPE-UHFFFAOYSA-N
SMILES CCC(C)(C)OC(=O)CC(C)=O

 Synthetic Route

~73%

2-methylbutan-2-yl 3-oxobutanoate Structure

2-methylbutan-2...

CAS#:13562-83-9

Literature: Nudelman, Abraham; Kelner, Rachel; Broida, Neomi; Gottlieb, Hugo E. Synthesis, 1989 , # 5 p. 387 - 388

~87%

2-methylbutan-2-yl 3-oxobutanoate Structure

2-methylbutan-2...

CAS#:13562-83-9

Literature: Koval; Dzyuba; Ilnitska; Pekhnyo Tetrahedron Letters, 2008 , vol. 49, # 10 p. 1645 - 1647

~%

2-methylbutan-2-yl 3-oxobutanoate Structure

2-methylbutan-2...

CAS#:13562-83-9

Literature: Soleil,J.; Loppinet,V. Chimica Therapeutica, 1966 , vol. 1, p. 309 - 313

 Synonyms

Acetessigsaeure-tert-pentylester
Butanoic acid,3-oxo-,1,1-dimethylpropyl ester
acetoacetic acid tert-pentyl ester
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