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13081-18-0 | Ethyl 3,3,3-trifluoro-2-oxopropanoate
CAS No: 13081-18-0 Catalog No: AG0034X0 MDL No:MFCD00114935
Product Description
Catalog Number:
AG0034X0
Chemical Name:
Ethyl 3,3,3-trifluoro-2-oxopropanoate
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 |
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