372-31-6 | Ethyl 4,4,4-trifluoroacetoacetate

Packsize	Purity	Availability	Price	Discounted Price
10g	98%	in stock	$8.00	$5.00
25g	98%	in stock	$10.00	$7.00
100g	98%	in stock	$26.00	$18.00
500g	98%	in stock	$99.00	$69.00

Description

• Catalog Number: AB47491
• Chemical Name: Ethyl 4,4,4-trifluoroacetoacetate
• CAS Number: 372-31-6
• Molecular Formula: C6H7F3O3
• Molecular Weight: 184.1132
• MDL Number: MFCD00000424
• SMILES: CCOC(=O)CC(=O)C(F)(F)F
• NSC Number: 42739

Computed Properties

• Complexity: 185
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• XLogP3: 1.4

Literature

• Synthesis of 1-alkyl-2-(trifluoromethyl)azetidines and their regiospecific ring opening toward diverse α-(trifluoromethyl)amines via intermediate azetidinium salts.

  The Journal of organic chemistry 20120720

• Ethyl 6-(4-fluoro-phen-yl)-4-hy-droxy-2-sulfanyl-idene-4-trifluoro-methyl-1,3-diazinane-5-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20120301

• Diethyl 2,6-dihy-droxy-4-(3-nitro-phen-yl)-2,6-bis-(trifluoro-meth-yl)piperidine-3,5-dicarboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20120201

• 7-Amino-4-hy-droxy-4-trifluoro-methyl-3,4-dihydro-quinolin-2(1H)-one.

  Acta crystallographica. Section E, Structure reports online 20111001

• Ethyl 4-hy-droxy-6-(4-hy-droxy-phen-yl)-4-trifluoro-methyl-2-sulfanyl-idene-1,3-diazinane-5-carboxyl-ate ethanol monosolvate.

  Acta crystallographica. Section E, Structure reports online 20110501

• Biocatalytic properties of a recombinant aldo-keto reductase with broad substrate spectrum and excellent stereoselectivity.

  Applied microbiology and biotechnology 20110201

• Ethyl 7-(2-chloro-phen-yl)-5-trifluoro-meth-yl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20101001

• Ethyl 7-(4-bromo-phen-yl)-5-trifluoro-methyl-4,7-dihydro-tetra-zolo[1,5-a]pyrimidine-6-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20100901

• rac-Ethyl 4-hy-droxy-6-(2-hy-droxy-phen-yl)-2-oxo-4-(trifluoro-methyl)per-hydro-pyrimidine-5-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20100701

• 6-(Trifluoro-meth-yl)pyrimidine-2,4(1H,3H)-dione monohydrate.

  Acta crystallographica. Section E, Structure reports online 20100701

• Ethyl 6-[4-(dimethyl-amino)phen-yl]-4-hydr-oxy-2-oxo-4-(trifluoro-methyl)-hexa-hydro-pyrimidine-5-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20100501

• 2-Phenyl-5-(trifluoro-meth-yl)pyrazol-3(2H)-one.

  Acta crystallographica. Section E, Structure reports online 20090801

• Ethyl 4-(4-nitro-phen-yl)-2-(trifluoro-meth-yl)pyrimido[1,2-a]benzimidazole-3-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20081201

• 3-Ethyl 5-methyl 2-hydr-oxy-6-methyl-4-(4-nitro-phen-yl)-2-trifluoro-methyl-1,2,3,4-tetra-hydro-pyridine-3,5-dicarboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20080901

• Synthesis, crystal structure, and modelling of a new tetramer complex of europium.

  The journal of physical chemistry. B 20070809

• Microbial synthesis of ethyl (R)-4,4,4-trifluoro-3-hydroxybutanoate by asymmetric reduction of ethyl 4,4,4-trifluoroacetoacetate in an aqueous-organic solvent biphasic system.

  Biotechnology journal 20070201

• Rapid identification of new bacterial alcohol dehydrogenases for (R)- and (S)-enantioselective reduction of ss-ketoesters.

  Chemical communications (Cambridge, England) 20040921

• Using model complexes to augment and advance metalloproteinase inhibitor design.

  Inorganic chemistry 20040517

• NMR-based modification of matrix metalloproteinase inhibitors with improved bioavailability.

  Journal of medicinal chemistry 20021219