N-(4-ACETYL-PHENYL)-METHANESULFON-AMIDE
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N-(4-ACETYL-PHENYL)-METHANESULFON-AMIDE
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CAS No:
5317-89-5
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Formula:
C9H11NO3S
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Chemical Name:
N-(4-ACETYL-PHENYL)-METHANESULFON-AMIDE
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Synonyms:
N-(4-acetylphenyl)methanesulfonamide;N-(4-Acetyl-phenyl)-methanesulfon-amide;4"-acetylmethanesulfonanilide;SCHEMBL4624606;CTK5J9630;DTXSID90350607;ALBB-002987;KS-00000GP4;4"-(Methylsulfonylamino)acetophenone;5044AE
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CAS No:
N-(4-ACETYL-PHENYL)-METHANESULFON-AMIDE Basic Attributes
213.25
213.045959
DTXSID90350607
2935009090
Safety Information
Xi
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-(4-ACETYL-PHENYL)-METHANESULFON-AMIDE Use and Manufacturing
A cooled solution of 4'-aminoacetophenon (10 mmol) in pyridine (10 mL) at 0 °C was treated with METHANESULFONYL chloride (15 mmol) and stirred at room temperature for 2 h. The reaction mixture was diluted with HZ0 and extracted with EtOAc several times. The combined organic layers were washed with H20 and brine, dried over MGS04, filtered, and the filtrate was concentrated in vacuo. The residue was purified by flash column chromatography on silica gel using EtOAc: hexanes to afford 4'- (Methylsulfonylamino) acetophenone (13-5, LJO-298). 95percent yield, mp = 161 °C 1H NMR (CDC13) 8 7.97 (dd, 2 H, J= 2, 6. 8 Hz, ), 7.26 (dd, 2 H, J= 2, 6.8 Hz), 6. 87 (bs, 1 H), 3.10 (s, 3 H), 2.59 (s, 3 H)General procedure: To a solution of 4-aminoacetophenone (0.68g, 5mmol) and pyridine (1.6mL, 20mmol) in THF (10mL) was slowly added the substituted sulfonyl chloride (5mmol). The reaction mixture was stirred at room temperature for 12h. Water (50mL) was added and the mixture was extracted with ethyl acetate (10mL×3), the combined organic phase was washed with 1N hydrochloric acid (30mL×2) and water (30mL×2), dried over anhydrous Na
Computed Properties
Molecular Weight:213.26
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:213.04596439
Monoisotopic Mass:213.04596439
Topological Polar Surface Area:71.6
Heavy Atom Count:14
Complexity:297
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
N-(4-ACETYL-PHENYL)-METHANESULFON-AMIDE
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