510246

Methyl 3,3,3-trifluoropyruvate

97%

• Linear Formula: CF₃COCO₂CH₃
• CAS Number: 13089-11-7
• Molecular Weight: 156.06
• MDL number: MFCD00114936
• UNSPSC Code: 12352100
• PubChem Substance ID: 24873485
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• refractive index: n20/D 1.332 (lit.)
• bp: 86 °C (lit.)
• density: 1.529 g/mL at 25 °C (lit.)
• functional group: ester; fluoro; ketone
• SMILES string: COC(=O)C(=O)C(F)(F)F
• InChI: 1S/C4H3F3O3/c1-10-3(9)2(8)4(5,6)7/h1H3
• InChI key: XGLLQDIWQRQROJ-UHFFFAOYSA-N

Description

General description

Methyl 3,3,3-trifluoropyruvate is an alkyl 3,3,3-trifluoropyruvate that can be synthesized using hexafluoropropene-1,2-oxide (HFPO) as a starting material. It reacts with aromatic amines, benzylic manoamines and diamines to form the corresponding hemiaminals.

Application

Methyl 3,3,3-trifluoropyruvate may be used in the synthesis of:

• 2-hydroxy-2-trifluoromethylbutan-4-olides
• 2-(trifluoromethyl)butan-4-olides
• 4-trifluoromethyl-(2H)-pyridazin-3-ones
• methyl 3-methoxy-2-trifluoromethylacrylate

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 78.8 °F - closed cup
• flash_point_c: 26 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter