Home Other Building Blocks Ethyl trifluoropyruvate

Ethyl trifluoropyruvate

CAS No.:
13081-18-0
Catalog Number:
AG0034X0
Molecular Formula:
C5H5F3O3
Molecular Weight:
170.0866
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$25
- +
100g
95%
In Stock USA
United States
$88
- +
500g
95%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG0034X0
Chemical Name:
Ethyl trifluoropyruvate
CAS Number:
13081-18-0
Molecular Formula:
C5H5F3O3
Molecular Weight:
170.0866
MDL Number:
MFCD00114935
IUPAC Name:
ethyl 3,3,3-trifluoro-2-oxopropanoate
InChI:
InChI=1S/C5H5F3O3/c1-2-11-4(10)3(9)5(6,7)8/h2H2,1H3
InChI Key:
KJHQVUNUOIEYSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C(F)(F)F
EC Number:
603-440-7
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.087g/mol
Monoisotopic Mass:
170.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Asymmetric synthesis of the carbon-14-labeled selective glucocorticoid receptor modulator using cinchona alkaloid catalyzed addition of 6-bromoindole to ethyl trifluoropyruvate. Molecules (Basel, Switzerland) 20120530
Ethyl 3,3,3-trifluoro-2-hy-droxy-2-(5-meth-oxy-1H-indol-3-yl)propionate. Acta crystallographica. Section E, Structure reports online 20110701
Straightforward synthesis of enantiopure (R)- and (S)-trifluoroalaninol. Organic & biomolecular chemistry 20101021
Joint experimental and DFT study of the gas-phase unimolecular elimination kinetic of methyl trifluoropyruvate. The journal of physical chemistry. A 20100805
Catalytic asymmetric synthesis of 3-(alpha-hydroxy-beta-carbonyl) oxindoles by a Sc(III)-catalyzed direct aldol-type reaction. Chemistry (Weinheim an der Bergstrasse, Germany) 20100322
The first organocatalytic carbonyl-ene reaction: isomerisation-free C-C bond formations catalysed by H-bonding thio-ureas. Beilstein journal of organic chemistry 20070101
Cinchona-alkaloid-catalyzed enantioselective direct aldol-type reaction of oxindoles with ethyl trifluoropyruvate. Angewandte Chemie (International ed. in English) 20070101
Asymmetric platinum group metal-catalyzed carbonyl-ene reactions: carbon-carbon bond formation versus isomerization. The Journal of organic chemistry 20061222
Straightforward synthesis of (S)- and (R)-alpha-trifluoromethyl proline from chiral oxazolidines derived from ethyl trifluoropyruvate. Organic letters 20061221
Highly enantioselective organocatalytic hydroxyalkylation of indoles with ethyl trifluoropyruvate. Angewandte Chemie (International ed. in English) 20050513
Regioselectively nucleus and/or side-chain fluorinated 2-(Phenanthryl)propionic acids by an effective combination of radical and organometallic chemistry. The Journal of organic chemistry 20050121
Properties