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510254

Ethyl 3,3,3-trifluoropyruvate

97%

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About This Item

Linear Formula:
CF3COCO2C2H5
CAS Number:
13081-18-0
Molecular Weight:
170.09
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24873486
MDL number:
MFCD00114935
Beilstein/REAXYS Number:
2087388
Assay:
97%
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Quality Level

100

assay

97%

refractive index

n20/D 1.341 (lit.), n/D (lit.)

density

1.283 g/mL at 25 °C (lit.)

functional group

ester, fluoro, ketone

SMILES string

CCOC(=O)C(=O)C(F)(F)F

InChI

1S/C5H5F3O3/c1-2-11-4(10)3(9)5(6,7)8/h2H2,1H3

InChI key

KJHQVUNUOIEYSV-UHFFFAOYSA-N

General description

Ethyl 3,3,3-trifluoropyruvate is a trifluoromethylated compound. Enantioselective Friedel–Crafts alkylation of simple phenols and indoles with ethyl 3,3,3-trifluoropyruvate under different reaction conditions have been reported.

Application

Ethyl 3,3,3-trifluoropyruvate may be used in the preparation of N-heteroaryl(trifluoromethyl)hydroxyalkanoic acid esters.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

flash_point_f

87.8 °F - closed cup

flash_point_c

31 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKDB3875
MKDB0693
MKCX4616
MKCW2216
MKCW3049

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Novel Enantiocomplementary C2-Symmetric Chiral Bis (imidazoline) Ligands: Highly Enantioselective Friedel?Crafts Alkylation of Indoles with Ethyl 3, 3, 3-Trifluoropyruvate.
Nakamura S, et al.
Advanced Synthesis & Catalysis, 350(10), 1443-1448 (2008)
Synthesis of N-Heteroaryl (trifluoromethyl) hydroxyalkanoic Acid Esters by Highly Efficient Solid Acid-Catalyzed Hydroxyalkylation of Indoles and Pyrroles with Activated Trifluoromethyl Ketones.
Abid M and Torok B.
Advanced Synthesis & Catalysis, 347(14), 1797-1803 (2005)
Organocatalytic enantioselective Friedel?Crafts alkylation of simple phenols with trifluoropyruvate.
Zhao JL, et al.
Tetrahedron Letters, 49(9), 1476-1479 (2008)

Global Trade Item Number

SKUGTIN
510254-5G04061832490144