Ethyl 4,4,4-trifluoroacetoacetate

ALDRICH/E50205 - 99%

Synonym: ETFAA; Ethyl 3-oxo-4,4,4-trifluorobutyrate

CAS Number: 372-31-6
Empirical Formula (Hill Notation): C₆H₇F₃O₃
Molecular Weight: 184.11
EC Number: 206-750-7
MDL Number: MFCD00000424
Linear Formula: CF₃COCH₂CO₂C₂H₅
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-E50205-5G	5 g	$36.00 1/EA	Add To Favorites
45-E50205-25G	25 g	$59.00 1/EA	Add To Favorites
45-E50205-100G	100 g	$124.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99%
bp	129-130 °C (lit.)
density	1.259 g/mL at 25 °C (lit.)
form	liquid
InChI	1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChI key	OCJKUQIPRNZDTK-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.375 (lit.)
SMILES string	CCOC(=O)CC(=O)C(F)(F)F

Application:

Ethyl 4,4,4-trifluoroacetoacetate (ETFAA) is a general reagent to synthesize enantiopure trifluoromethyl-functionalized products. Applications include:
• Synthesis of (S)- and (R)-α-trifluoromethyl-aspartic acid and α- trifluoromethyl-serine from chiral CF₃-oxazolidines, which is derived from ETFAA.
• Enantiopure synthesis of trifluoromethyl-β-amino acid derivatives.
• Synthesis of (2R)-2-trifluoromethyl-2-carboxyazetidine, (R)- and (S)-trifluoromethylhomoserines from oxazolidine intermediate obtained by condensing (R)-phenylglycinol with ETFAA.

Packaging:

5, 25, 100 g in glass bottle

Symbol	GHS02,GHS07
Signal word	Warning
Hazard statements	H226 - H302 - H412
Precautionary statements	P210 - P273 - P301 + P312 + P330
Hazard Codes	Xn
Risk Statements	10-22-52/53
Safety Statements	61
RIDADR	UN 3272 3 / PGIII
WGK Germany	WGK 2
Flash Point(F)	100.4 °F - closed cup
Flash Point(C)	38 °C - closed cup

Purity	99%
bp	129-130 °C (lit.)
Density	1.259 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.375 (lit.)
UNSPSC	12352100

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