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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERT-BUTYL ACETOACETATE

SMILES

CC(=O)CC(=O)OC(C)(C)C

InChI

InChIKey=JKUYRAMKJLMYLO-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
An alternative to the use of delta-lactam urethanes in the "ring switch" approach to higher homologues of AMPA-type glutamate antagonists.
2003 Aug 7
Synthesis of cyclopentenones via intramolecular HWE and the palladium-catalyzed reactions of allylic hydroxy phosphonate derivatives.
2008 Jul 18
Improved synthesis of three methyl-branched pheromone components produced by the female lichen moth.
2010
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:10:27 GMT 2023
Edited
by admin
on Fri Dec 15 19:10:27 GMT 2023
Record UNII
1D3DOS61GX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TERT-BUTYL ACETOACETATE
Systematic Name English
ACETOACETIC ACID TERT-BUTYL ESTER
Systematic Name English
BUTANOIC ACID, 3-OXO-, 1,1-DIMETHYLETHYL ESTER
Common Name English
BUTYL ACETOACETATE, TERT-
Systematic Name English
NSC-42869
Code English
TERT-BUTYL 3-OXOBUTANOATE
Systematic Name English
1,1-DIMETHYLETHYL ACETOACETATE
Systematic Name English
TERT-BUTYL ACETYLACETONATE
Common Name English
ACETOACETIC ACID, TERT-BUTYL ESTER
Common Name English
TERT-BUTYL 3-OXOBUTYRATE
Systematic Name English
Code System Code Type Description
CAS
1694-31-1
Created by admin on Fri Dec 15 19:10:27 GMT 2023 , Edited by admin on Fri Dec 15 19:10:27 GMT 2023
PRIMARY
PUBCHEM
15538
Created by admin on Fri Dec 15 19:10:27 GMT 2023 , Edited by admin on Fri Dec 15 19:10:27 GMT 2023
PRIMARY
FDA UNII
1D3DOS61GX
Created by admin on Fri Dec 15 19:10:27 GMT 2023 , Edited by admin on Fri Dec 15 19:10:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-904-5
Created by admin on Fri Dec 15 19:10:27 GMT 2023 , Edited by admin on Fri Dec 15 19:10:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID4044402
Created by admin on Fri Dec 15 19:10:27 GMT 2023 , Edited by admin on Fri Dec 15 19:10:27 GMT 2023
PRIMARY
NSC
42869
Created by admin on Fri Dec 15 19:10:27 GMT 2023 , Edited by admin on Fri Dec 15 19:10:27 GMT 2023
PRIMARY