ChemicalBook--->CAS DataBase List--->815-06-5

815-06-5

815-06-5 Structure

815-06-5 Structure
IdentificationMore
[Name]

N-Methyl-2,2,2-trifluoroacetamide
[CAS]

815-06-5
[Synonyms]

2,2,2-TRIFLUORO-N-METHYLACETAMIDE
N-METHYL-2,2,2-TRIFLUOROACETAMIDE
N-METHYLTRIFLUOROACETAMIDE
TIMTEC-BB SBB008211
2,2,2-trifluoro-n-methyl-acetamid
N-Methyltrifluoroacetamide,98%
N-Methyl-2,2,2-trifluoroacetamide 98%
N-metnyl-2,2,2-trifluoroacetamide
N-Methyl-2,2,2-trifluoroacetamide, 98+%
[EINECS(EC#)]

212-417-7
[Molecular Formula]

C3H4F3NO
[MDL Number]

MFCD00009670
[Molecular Weight]

127.07
[MOL File]

815-06-5.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE CRYSTALS OR CRYSTALLINE POWDER
[Melting point ]

49-51 °C(lit.)
[Boiling point ]

156-157 °C(lit.)
[density ]

1.3215 (estimate)
[Fp ]

165 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

powder to crystal
[pka]

11.54±0.46(Predicted)
[color ]

White to Almost white
[Sensitive ]

Hygroscopic
[BRN ]

1703392
[InChI]

InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)
[InChIKey]

IQNHBUQSOSYAJU-UHFFFAOYSA-N
[SMILES]

C(NC)(=O)C(F)(F)F
[CAS DataBase Reference]

815-06-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetamide, 2,2,2-trifluoro-N-methyl-(815-06-5)
[EPA Substance Registry System]

815-06-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

3
[F ]

3-10-21
[Hazard Note ]

Irritant/Hygroscopic
[TSCA ]

T
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29241990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Chemical Properties]

WHITE CRYSTALS OR CRYSTALLINE POWDER
[Uses]

N-Methyltrifluoroacetamide is a useful synthetic intermediate. It is used to prepare electrophilic 11b-aryl derivs. of estradiol as steroidal affinity labels of the estrogen receptor a. It is also used to synthesize amino substituted derivatives of 5'-amino-5'-deoxy-5'-noraristeromycin as antiviral agent.
[General Description]

The high-resolution proton and fluorine resonance spectra of N-methyltrifluoroacetamide in tetrahydrofuran and acetone was studied.
[Synthesis]

Trifluoroacetamide

354-38-1

N-Methyl-2,2,2-trifluoroacetamide

815-06-5

Example 6-B: Trifluoroacetamide (300 mg; 0.63 mmol) was dissolved in THF (2 mL) at 0 °C, NaH (60% mineral oil dispersion, 50 mg; 0.63 mmol) was added, followed by dropwise addition of MeI (60 μL; 0.94 mmol). The reaction mixture was stirred overnight at room temperature. After completion of the reaction, THF was removed by evaporation and the residue was diluted with water and extracted with CH2Cl2. The organic layers were combined, washed with saturated brine and dried over anhydrous Na2SO4. After concentration, the crude product was purified by rapid chromatography on silica gel (eluent: hexane/ethyl acetate, gradient from 4:1 to 1:1) to afford N-methyl-2,2,2-trifluoroacetamide 200 mg in 65% yield.

[References]

[1] Patent: US2003/105094, 2003, A1
Spectrum DetailBack Directory
[Spectrum Detail]

N-Methyl-2,2,2-trifluoroacetamide(815-06-5)MS
N-Methyl-2,2,2-trifluoroacetamide(815-06-5)1HNMR
N-Methyl-2,2,2-trifluoroacetamide(815-06-5)13CNMR
N-Methyl-2,2,2-trifluoroacetamide(815-06-5)IR1
N-Methyl-2,2,2-trifluoroacetamide(815-06-5)IR2
N-Methyl-2,2,2-trifluoroacetamide(815-06-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Methyl-2,2,2-trifluoroacetamide, 98%(815-06-5)
[Alfa Aesar]

N-Methyl-2,2,2-trifluoroacetamide, 98+%(815-06-5)
[Sigma Aldrich]

815-06-5(sigmaaldrich)
[TCI AMERICA]

N-Methyltrifluoroacetamide,>98.0%(GC)(815-06-5)
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