U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H14O2
Molecular Weight 130.1849
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-DIMETHYLETHYL PROPIONATE

SMILES

CCC(=O)OC(C)(C)C

InChI

InChIKey=JAELLLITIZHOGQ-UHFFFAOYSA-N
InChI=1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C7H14O2
Molecular Weight 130.1849
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Use of a robust dehydrogenase from an archael hyperthermophile in asymmetric catalysis-dynamic reductive kinetic resolution entry into (S)-profens.
2010-05-05
On the mechanism of Lewis base catalyzed aldol addition reactions: kinetic and spectroscopic investigations using rapid-injection NMR.
2009-08-26
Palladium-catalyzed alpha-arylation of esters with chloroarenes.
2008-04-17
Laser flash photolysis and CIDNP studies of steric effects on coupling rate constants of imidazolidine nitroxide with carbon-centered radicals, methyl isobutyrate-2-yl and tert-butyl propionate-2-yl.
2006-08-04
Palladium-catalyzed alpha-arylation of esters and amides under more neutral conditions.
2003-09-17
Lewis base activation of lewis acids. Addition of silyl ketene acetals to aldehydes.
2002-11-13
Efficient synthesis of alpha-aryl esters by room-temperature palladium-catalyzed coupling of aryl halides with ester enolates.
2002-10-23
Bocdene and mocdene derivatives of catechols and catecholamines.
2001-05-03
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:44:34 GMT 2025
Edited
by admin
on Mon Mar 31 22:44:34 GMT 2025
Record UNII
43953CC10D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-DIMETHYLETHYL PROPIONATE
Systematic Name English
PROPANOIC ACID, 1,1-DIMETHYLETHYL ESTER
Preferred Name English
Code System Code Type Description
CAS
20487-40-5
Created by admin on Mon Mar 31 22:44:34 GMT 2025 , Edited by admin on Mon Mar 31 22:44:34 GMT 2025
PRIMARY
PUBCHEM
88561
Created by admin on Mon Mar 31 22:44:34 GMT 2025 , Edited by admin on Mon Mar 31 22:44:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID20174459
Created by admin on Mon Mar 31 22:44:34 GMT 2025 , Edited by admin on Mon Mar 31 22:44:34 GMT 2025
PRIMARY
FDA UNII
43953CC10D
Created by admin on Mon Mar 31 22:44:34 GMT 2025 , Edited by admin on Mon Mar 31 22:44:34 GMT 2025
PRIMARY