ChemicalBook--->CAS DataBase List--->1171331-39-7

1171331-39-7

1171331-39-7 Structure

1171331-39-7 Structure
IdentificationBack Directory
[Name]

2-AMino-N-(2,2,2-trifluoroethyl)acetaMide hydrochloride
[CAS]

1171331-39-7
[Synonyms]

2-AMino-N-(2
Fluralaner Impurity 1
2-trifluoroethyl)acetaMide hydrochloride
2-Amino-N-(2,2,2-Trifluoroethyl)acetamide HCl
2-AMino-N-(2,2,2-trifluoroethyl)acetaMide hydrochloride
2-Amino-N-(2,2,2-trifluoroethyl)acetamidehydrochloride,97%
[EINECS(EC#)]

806-518-0
[Molecular Formula]

C4H8ClF3N2O
[MDL Number]

MFCD09944516
[MOL File]

1171331-39-7.mol
[Molecular Weight]

192.567
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,Room Temperature
[InChI]

InChI=1S/C4H7F3N2O.ClH/c5-4(6,7)2-9-3(10)1-8;/h1-2,8H2,(H,9,10);1H
[InChIKey]

DBNFKWRZLGVLSH-UHFFFAOYSA-N
[SMILES]

N(CC(F)(F)F)C(=O)CN.Cl
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[REACH Registrations]

Active
[HS Code ]

2922498590
Hazard InformationBack Directory
[Uses]

Reactant in the synthesis of isoxazoline indolizine amides.
[Synthesis]

tert-butyl (2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)carbamate

1231755-15-9

2-AMino-N-(2,2,2-trifluoroethyl)acetaMide hydrochloride

1171331-39-7

Example 95: General procedure for the preparation of 2-amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride (C350) To a stirred solution of tert-butyl (2-oxo-2-((2,2,2-trifluoroethyl)amino)ethylcarbamate (C362; 3 g, 15.6 mmol) in dioxane (20 mL) was added slowly and dropwise to a solution of dioxane (23 mL, 93.8 mmol) in 4 M HCl at 0°C. The reaction mixture was stirred at room temperature for 10 hours. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure. The resulting title compound was an off-white solid (2.4 g) and could be used in subsequent steps without further purification. The product was characterized by 1H NMR (300 MHz, DMSO-d6): δ 9.17-7.13 (m, 1H), 8.21 (br s, 3H), 4.07-3.95 (m, 2H), 3.67-3.64 (m, 2H).

[References]

[1] Patent: WO2015/132592, 2015, A1. Location in patent: Paragraph 00117
[2] Patent: WO2012/47543, 2012, A1. Location in patent: Page/Page column 29
[3] Patent: US2018/98541, 2018, A1. Location in patent: Paragraph 3191-3192
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMino-N-(2,2,2-trifluoroethyl)acetaMide hydrochloride(1171331-39-7)1HNMR
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