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CAS No.: | 10297-73-1 |
---|---|
Name: | 4-Methylsulphonylacetophenone |
Article Data: | 76 |
Molecular Structure: | |
Formula: | C9H10O3S |
Molecular Weight: | 198.243 |
Synonyms: | Acetophenone,4'-(methylsulfonyl)- (6CI,7CI,8CI);1-(4-Methylsulfonylphenyl)ethanone;1-[4-(Methylsulfonyl)phenyl]ethan-1-one;4-(Methanesulfonyl)acetophenone;4-(Methylsulfonyl)propiophenone;4'-(Methylsulfonyl)acetophenone;Ethanone,1-[4-(methylsulfonyl)phenyl]-;p-Acetylphenyl methyl sulfone;p-Methylsulfonylacetophenone; |
EINECS: | 233-672-0 |
Density: | 1.218 g/cm3 |
Melting Point: | 126-129 °C(lit.) |
Boiling Point: | 385.4 °C at 760 mmHg |
Flash Point: | 242 °C |
Appearance: | White to slightly yellow cryst. powder or needles |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 59.59000 |
LogP: | 2.37350 |
4-(Methylthio)acetophenone
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With MMPP In methanol; dichloromethane at 20℃; for 3h; | 100% |
With sulfuric acid; dihydrogen peroxide; acetic acid at 0 - 70℃; for 2h; | 99% |
With dihydrogen peroxide; Cu2H4O40Te2W8(12-)*(x)H2O*12Na(1+) In acetonitrile at 20℃; for 10h; Sealed tube; | 98% |
4-Iodoacetophenone
sodium methansulfinate
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With copper(l) iodide; N,N-dimethyl-N-benzyl-N-(2-methacryloyloxyethyl)ammonium bromide; caesium carbonate In chlorobenzene at 110℃; for 24h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; | 94.9% |
With potassium phosphate; copper(l) iodide; (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide In dimethyl sulfoxide at 20℃; for 24h; Inert atmosphere; | 83% |
With copper(l) iodide; sodium L-prolinate In dimethyl sulfoxide at 80℃; for 24h; | 80% |
With copper(I) trifluoromethanesulfonate benzene; N,N`-dimethylethylenediamine In dimethyl sulfoxide at 110℃; for 20h; |
4-(Methylthio)acetophenone
A
1-(4-methansulfinylphenyl)ethanone
B
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In acetonitrile for 0.0833333h; cooling; | A 94% B 2% |
With oxygen at 80℃; for 20h; chemoselective reaction; | A 67% B 9% |
With oxygen; 4C24H20P(1+)*2H(1+)*V10O28(6-) In water; butanone at 30℃; under 760.051 Torr; for 2h; Irradiation; Schlenk technique; | A 65% B 11 %Chromat. |
1-(4-(methylsulfonyl)phenyl)ethan-1-one oxime
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With sodium nitrite In water; acetonitrile at 40℃; for 4.33333h; | 89% |
sodium methansulfinate
para-bromoacetophenone
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With potassium phosphate; copper(l) iodide; (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere; | 80% |
With copper(l) iodide; sodium L-prolinate In dimethyl sulfoxide at 95℃; for 48h; | 62% |
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With 2,6-bis[1-(2,6-dimethylphenylimino)ethyl]pyridine cobalt(II)dichloride; bis(pinacol)diborane; sodium t-butanolate In tetrahydrofuran; methanol at 65℃; for 3h; Schlenk technique; Inert atmosphere; | 80% |
di-tert-butyl peroxide
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With water at 110℃; for 12h; Sealed tube; Green chemistry; | 75% |
sodium methansulfinate
4-acetylphenylboronic acid
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With copper diacetate; 4 Angstroem MS; potassium carbonate In dimethyl sulfoxide at 20 - 60℃; for 16h; | 71% |
1-(4-(methylsulfonyl)phenyl)ethan-1-ol
A
4-(methanesulfonyl)acetophenone
B
4-methylsulfonylbenzoic acid
Conditions | Yield |
---|---|
Stage #1: 1-(4-(methylsulfonyl)phenyl)ethan-1-ol With oxygen; sodium hydride In tetrahydrofuran at 0 - 20℃; for 16h; Stage #2: With hydrogenchloride In water | A 30% B 68% |
Conditions | Yield |
---|---|
With copper(I) oxide; potassium tert-butylate; oxygen; acetylacetone at 100℃; for 20h; | 52% |
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IUPAC Name: 1-(4-methylsulfonylphenyl)ethanone
Molecular Formula: C9H10O3S
Molecular Weight: 198.24 g/mol
Canonical SMILES: S(c1ccc(cc1)C(=O)C)(=O)(=O)C
InChI: InChI=1/C9H10O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H,1-2H3
Mol File: 10297-73-1.mol
EINECS: 233-672-0
Product Categories: Osteoarthritis and Rheumatoid Arthritis
XLogP3: 0.9
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 198.035065
MonoIsotopic Mass: 198.035065
Topological Polar Surface Area: 51.2
Heavy Atom Count: 13
Complexity: 279
Index of Refraction: 1.521
Molar Refractivity: 49.56 cm3
Molar Volume: 162.7 cm3
Polarizability: 19.64×10-24 cm3
Surface Tension: 39 dyne/cm
Density: 1.218 g/cm3
Flash Point: 242 °C
Enthalpy of Vaporization: 63.42 kJ/mol
Boiling Point: 385.4 °C at 760 mmHg
Melting Point: 126-129 °C(lit.)
Vapour Pressure of 4-Methylsulphonylacetophenone (CAS NO.10297-73-1): 3.82E-06 mmHg at 25 °C
Hazard Codes: Xi
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
WGK Germany: 3
Hazard Note: Irritant
HazardClass of 4-Methylsulphonylacetophenone (CAS NO.10297-73-1): Irritant
4-Methylsulphonylacetophenone (CAS NO.10297-73-1), its Synonyms are 1-(4-(Methylsulphonyl)phenyl)ethan-1-one ; P-methylsulphonylacetophenone ; 1-(4-(Methylsulfonyl)phenyl)ethanone ; 1-(4-Methylsulfonyl-phenyl)-ethanone ; 4'-(Methylsulphonyl)acetophenone ; 4-(Methylsulphonyl)acetophenone ; 4'-(Methylsulfonyl)acetophenone . It is white to slightly yellow cryst. powder or needles.