2-Amino-5-(trifluoromethyl)phenol
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2-Amino-5-(trifluoromethyl)phenol
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CAS No:
454-82-0
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Formula:
C7H6F3NO
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Chemical Name:
2-Amino-5-(trifluoromethyl)phenol
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Synonyms:
Phenol,2-amino-5-(trifluoromethyl)-;m-Cresol,6-amino-α,α,α-trifluoro-;2-Amino-5-(trifluoromethyl)phenol;2-Hydroxy-4-(trifluoromethyl)aniline
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CAS No:
2-Amino-5-(trifluoromethyl)phenol Basic Attributes
177.12
177.12
ENX2MR5ALD
DTXSID00573628
2922299090
2-Amino-5-(trifluoromethyl)phenol Use and Manufacturing
(2.0 g, 11.29 mmol) and potassiumcarbonate (4.7 g, 34.00 mmol) were dissolved in anhydrousacetonitrile (20 mL) under N2. Chloroacetyl chloride (1.4 g, 12.40 mmol) was added dropwise. The mixture was refluxed at85 C and stirred for 2 h. Then the mixture was concentrated byrotary evaporation. H2O and EtOAc were added to the residue forextraction. The organic layer was dried over anhydrous Na2SO4 andpurified via flash chromatography on silica gel to get 1.7 g (Yield69.3%) of 7-(trifluoromethyl)-2H-benzo[b][1, 4]oxazin-3(4H)-one(2f) as a powder. ES-LCMS m/z: 218.0 (MH). 1H NMR (400 MHz, Chloroform-d) d 9.98 (s, 1H), 7.23 (d, J 7.1 Hz, 2H), 6.95 (d, J 8.3 Hz, 1H), 4.68 (s, 2H). 19F NMR (376 MHz, Chloroform-d)d 62.20.
Computed Properties
Molecular Weight:177.12
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:177.04014830
Monoisotopic Mass:177.04014830
Topological Polar Surface Area:46.2
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-Amino-5-(trifluoromethyl)phenol
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