Ethanone, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride (1:1)
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Ethanone, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride (1:1)
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CAS No:
173676-59-0
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Formula:
C8H5ClF3NO.ClH
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Chemical Name:
Ethanone, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride (1:1)
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Synonyms:
Ethanone,1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-,hydrochloride (1:1);Ethanone,1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-,hydrochloride;4-Chloro-2-(trifluoroacetyl)aniline hydrochloride;1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethanone hydrochloride
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CAS No:
Ethanone, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride (1:1) Basic Attributes
278.05600
276.98800
605-687-6
DTXSID40657739
Safety Information
Xi
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Ethanone, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride (1:1) Use and Manufacturing
Step 2: Synthesis of l-(2-amino-5-chlorophenyl)-2, 2, 2, -trifluoroethanone hydrochloride from 4-chloro-2-bromo phenyl pivalamide. (0120) To the mixture of Magnesium turnings (leq) and 2 vol of THF were added few particles of iodine for initiating and starting material i.e (4-chloro-2-bromophenyl)pivalamide (1 gr) at room temperature and waited for initiation. Slowly add starting material (dissolved in Ivol of THF) drop wise once initiation was started. Lithium chloride (0.25 mmol) was added to the reaction mixture after completion of addition and stirred for about 6hrs at room temperature. Cooled the reaction mixture to -15°C and ethyl trifluoroacetate (1.4mmol) was added. Raised the temperature of the reaction mixture to 20°C, maintained for about 30 mints and quenched the reaction mixture with ammonium chloride solution. Extracted the reaction mixture with MTBE and combined organic layers were concentrated under reduced pressure. To the crude compound thus obtained was added acetic acid (4 vol) and HC1 (2 vol). Slowly heated the reaction mixture to 75°C and maintained the reaction mixture at the same temperature for about 4hrs. Cooled the reaction mixture to 0-5°C for 2hrs, filtered and washed with Ivol of ethylacetate to afford 70percent of title compound.
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Computed Properties
Molecular Weight:260.04
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:258.9778537
Monoisotopic Mass:258.9778537
Topological Polar Surface Area:44.7
Heavy Atom Count:15
Complexity:231
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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