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104863-67-4

104863-67-4 Structure

104863-67-4 Structure
IdentificationMore
[Name]

N-METHOXY-N-METHYLTRIFLUOROACETAMIDE
[CAS]

104863-67-4
[Synonyms]

4-Methoxy-3-methylthiophenol
N-METHYL-N-METHOXYTRIFLUOROACETAMIDE
N-METHOXY-N-METHYLTRIFLUOROACETAMIDE
N-Methoxy-N-methyltrifluoroacetamide98%
N-Methoxy-N-methyltrifluoroacetamide 98%
N-METHOXY-N-METHYL-2,2,2-TRIFLUOROACETAMIDE
2,2,2-trifluoro-N-Methoxy-N-MethylacetaMide
Acetamide, 2,2,2-trifluoro-N-methoxy-N-methyl-
N-Methoxy-N-methyl-2,2,2-trifluoroacetamide 98%
N-Methoxy-N-methyl-2,2,2-trifluoroacetamide≥ 98%(GC)
104863-67-4 C4H6F3NO2 N-METHOXY-N-METHYLTRIFLUOROACETAMIDE
N-Methoxy-N-(trifluoroacetyl)methylamine, N-Methoxy-N-methyl
N-Methoxy-N-(trifluoroacetyl)methylamine, N-Methoxy-N-methyl-2,2,2-trifluoroacetamide
[Molecular Formula]

C4H6F3NO2
[MDL Number]

MFCD00077565
[Molecular Weight]

157.09
[MOL File]

104863-67-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

53 °C/30 mmHg (lit.)
[density ]

1.299 g/mL at 25 °C(lit.)
[refractive index ]

1.3630 to 1.3670
[Fp ]

118 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Light yellow
[InChI]

InChI=1S/C4H6F3NO2/c1-8(10-2)3(9)4(5,6)7/h1-2H3
[InChIKey]

JDBJZZTZYKUFFK-UHFFFAOYSA-N
[SMILES]

C(N(OC)C)(=O)C(F)(F)F
[CAS DataBase Reference]

104863-67-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

R10:Flammable.
R25:Toxic if swallowed.
R36:Irritating to the eyes.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1992 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

2924190090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 3
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless liquid
[Synthesis]

N,O-Dimethylhydroxylamine hydrochloride

6638-79-5

Trifluoroacetic anhydride

407-25-0

N-METHOXY-N-METHYLTRIFLUOROACETAMIDE

104863-67-4

To a suspension of N,O-dimethylhydroxylamine hydrochloride (107.2 kg, 1.1 kmol) in dichloromethane (400 L) was sequentially added trifluoroacetic anhydride (210 kg, 1 kmol) and pyridine (174 kg, 2.2 kmol) at 0 °C. The reaction mixture was stirred continuously at 0 °C for 1 hour. Subsequently, the reaction solution was diluted with ice water (300 L) and washed with 2M hydrochloric acid (300 L). The aqueous phase was extracted twice with dichloromethane, the organic phases were combined and dried with anhydrous magnesium sulfate. After concentration of the organic phase, the crude N-methoxy-N-methyl-2,2,2-trifluoroacetamide (Weinreb amide) was obtained with 90% purity and 95% yield, which could be used in the subsequent reaction without further purification.

[References]

[1] Asian Journal of Chemistry, 2015, vol. 27, # 7, p. 2406 - 2408
[2] Journal of Organic Chemistry, 1991, vol. 56, # 13, p. 4260 - 4263
[3] Journal of Medicinal Chemistry, 2006, vol. 49, # 26, p. 7887 - 7896
[4] Patent: WO2003/101932, 2003, A2. Location in patent: Page 64
[5] Patent: WO2003/82787, 2003, A1. Location in patent: Page/Page column 108
Spectrum DetailBack Directory
[Spectrum Detail]

N-METHOXY-N-METHYLTRIFLUOROACETAMIDE(104863-67-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

104863-67-4(sigmaaldrich)
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