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% |
carbonic acid dimethyl ester
4-acetylphenylboronic acid
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With sodium metabisulfite; tetrabutylammomium bromide; palladium dichloride; tert-butyl XPhos In N,N-dimethyl-formamide at 120℃; for 12h; Inert atmosphere; | 50% |
methyl magnesium iodide
4-(methylsulfonyl)benzonitrile
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With diethyl ether; benzene Erwaermen des Reaktionsgemisches mit wss. H2SO4; |
4-methylsulfonylbenzoyl chloride
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With benzene Erhitzen einer Loesung des Reaktionsprodukts in Benzol mit wss. HCl und Essigsaeure; |
1-(4-methansulfinylphenyl)ethanone
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With potassium chromite; sodium perchlorate; oxalic acid In acetic acid at 40℃; Rate constant; | |
With potassium bromate; sulfuric acid; mercury(II) diacetate In acetic acid at 35℃; Kinetics; Mechanism; Thermodynamic data; other temperatures, ΔH(excit.), ΔS(excit.); | |
With peroxomonophosphoric acid; sodium perchlorate In water; acetic acid at 35℃; Kinetics; Further Variations:; Temperatures; | |
With oxo(salen)chromium(V) perchlorate In acetonitrile at 24.85℃; Kinetics; Further Variations:; Reagents; |
diazomethane
para-methanesulfonylbenzaldehyde
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
In diethyl ether |
(4-Acetyl-phenylsulfon)-essigsaeure
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
at 160 - 180℃; |
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With dihydrogen peroxide; acetic acid at 100℃; |
tetrachloromethane
3-hydroxy-3-(4-methanesulfonyl-phenyl)-2-phenyl-butyric acid
A
phenylacetic acid
B
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
at 65℃; Rate constant; sowie bei 75grad; |
methyl-phenyl-thioether
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 79 percent / potassium peroxymonosulfate / H2O; tetrahydrofuran; methanol / 15 h / 25 °C View Scheme |
methyl-phenyl-thioether
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 82 percent / AlCl3 / CHCl3 / 1.5 h / 5 °C 2: 100 percent / MMPP / methanol; CH2Cl2 / 3 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: 90 percent / AlCl3 / CHCl3 / 0 - 5 °C 2: KMnO4, AcOH / H2O / 60 - 70 °C View Scheme | |
Multi-step reaction with 2 steps 1: aluminum (III) chloride / chloroform / 2 h / Cooling 2: dihydrogen peroxide; ammonium molybdate / water; methanol / 20 °C View Scheme |
p-cyanophenyl methyl sulfide
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 98.5 percent / tetrahydrofuran; diethyl ether / 1.) -78 deg C - RT, 2.) RT, 2.5 h 2: 91 percent / mCPBA / CH2Cl2 / Ambient temperature View Scheme |
(phenylthio)acetic acid
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: AlCl3 / nitrobenzene; CS2 2: aq. H2O2, HCl 3: 160 - 180 °C View Scheme |
(4-acetyl-phenylsulfanyl)-acetic acid
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aq. H2O2, HCl 2: 160 - 180 °C View Scheme |
1-diacetoxymethyl-4-methanesulfonyl-benzene
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aq. H2SO4 / ethanol 2: diethyl ether View Scheme |
Methyl p-tolyl sulfone
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: CrO3, H2SO4 / acetic acid 2: aq. H2SO4 / ethanol 3: diethyl ether View Scheme |
ethylenediaminetetraacetic acid
4-(Methylthio)acetophenone
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With oxone In water; acetone |
dichloromethane
4-(Methylthio)acetophenone
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; magnesium bis(monoperoxyphthalate) hexahydrate In methanol | |
With sodium hydrogencarbonate; magnesium bis(monoperoxyphthalate) hexahydrate In methanol | |
With sodium hydrogencarbonate; magnesium bis(monoperoxyphthalate) hexahydrate In methanol |
4-(Methylthio)acetophenone
B
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With m-chloroperoxybenzoic acid In dichloromethane | A n/a B 11.91 g (91%) |
acetophenone
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With m-chloroperoxybenzoic acid In dichloromethane; 4-(Methylthio)acetophenone | 11.91 g (91%) |
4-(methanesulfonyl)acetophenone
5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane
Conditions | Yield |
---|---|
With hydrogenchloride; bis(1,5-cyclooctadiene)nickel (0); sodium methylate; C67H68N2 In cyclohexane; water at 50℃; for 1h; Inert atmosphere; enantioselective reaction; | 99% |
4-(methanesulfonyl)acetophenone
phenylhydrazine
4-(methylsulfonyl)acetophenone phenylhydrazone
Conditions | Yield |
---|---|
With acetic acid In ethanol at 70℃; | 97% |
In ethanol; acetic acid |
4-(methanesulfonyl)acetophenone
2-bromo-1-(4-methanesulfonylphenyl)ethanone
Conditions | Yield |
---|---|
With bromine In chloroform at 34 - 36℃; for 0.25h; Solvent; | 94.4% |
With bromine; acetic acid at 20℃; | 93% |
With N-Bromosuccinimide; toluene-4-sulfonic acid In acetonitrile at 80℃; | 89% |
Conditions | Yield |
---|---|
With tetrabutylammonium tetrafluoroborate; hydrogen iodide In ethanol at 50℃; for 24h; Electrochemical reaction; Schlenk technique; Green chemistry; | 94% |
With indium(III) triflate; copper(l) iodide; oxygen In 1-methyl-pyrrolidin-2-one at 100℃; under 760.051 Torr; for 30h; Schlenk technique; | 90% |
With iodine In ethanol at 20℃; for 3h; Green chemistry; | 74% |
4-(methanesulfonyl)acetophenone
1-(4-(methylsulfonyl)phenyl)ethan-1-ol
Conditions | Yield |
---|---|
With tris(pentafluorophenyl)borate; hydrogen In toluene at 60℃; under 45603.1 Torr; for 12h; Reagent/catalyst; Molecular sieve; | 94% |
With methanol; sodium tetrahydroborate In tetrahydrofuran at 0℃; for 2h; | 87% |
With water; 1,8-diazabicyclo[5.4.0]undec-7-ene; bis(pinacol)diborane at 60℃; for 10h; Sealed tube; chemoselective reaction; | 80% |
With sodium tetrahydroborate In methanol at 0 - 25℃; | 68% |
With methanol; sodium tetrahydroborate at 0 - 20℃; Inert atmosphere; Schlenk technique; |
4-(methanesulfonyl)acetophenone
(R)-1-(4-(methylsulfonyl)phenyl)ethan-1-ol
Conditions | Yield |
---|---|
With C37H40MnN2O2P2(1+)*Br(1-); sodium t-butanolate In isopropyl alcohol at 50℃; for 3h; Inert atmosphere; Schlenk technique; enantioselective reaction; | 93% |
Stage #1: 4-(methanesulfonyl)acetophenone With (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole Stage #2: With dimethylsulfide borane complex |
4-(methanesulfonyl)acetophenone
α,α-dibromo-4-methanesulfonylacetophenone
Conditions | Yield |
---|---|
With bromine In chloroform; water at 50 - 55℃; for 0.25h; | 91.7% |
With bromine; acetic acid | |
With bromine In acetic acid at 40℃; |
4-(methanesulfonyl)acetophenone
2-amino-1-benzylamine
Conditions | Yield |
---|---|
With copper(II) bis(trifluoromethanesulfonate); toluene-4-sulfonic acid In toluene at 100℃; for 36h; Schlenk technique; Sealed tube; | 91% |
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With acetic acid In ethanol at 70℃; | 91% |
4-(methanesulfonyl)acetophenone
phenylhydrazine
(1E)-1-{1-[4-(methylsulfonyl)phenyl]ethylidene}-2-phenylhyldrazine
Conditions | Yield |
---|---|
With acetic acid In ethanol for 1h; | 89% |
N-methyl-3-formylindole
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 20℃; for 10h; Claisen-Schmidt Condensation; | 89% |
morpholine
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With sulfur at 75℃; for 3h; Temperature; | 88% |
With toluene-4-sulfonic acid; sulfur for 3h; Willgerodt-Kindler reaction; Reflux; | 60% |
5-bromo-1H-indole-3-carboxaldehyde
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol; water at 20℃; for 10h; Claisen-Schmidt Condensation; | 88% |
Conditions | Yield |
---|---|
With copper(II) nitrate trihydrate; iodine at 100℃; for 8h; | 88% |
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With nickel(II) tetrafluoroborate hexahydrate; ammonia; hydrogen; bis(2-diphenylphosphinoethyl)phenylphosphine In 2,2,2-trifluoroethanol at 120℃; for 24h; chemoselective reaction; | 88% |
With ammonia; hydrogen In tetrahydrofuran at 120℃; for 20h; | 82% |
With ammonium hydroxide; hydrogen at 140℃; under 48754.9 Torr; for 20h; |
2-aminopyridine
4-(methanesulfonyl)acetophenone
toluene-4-sulfonic acid hydrazide
Conditions | Yield |
---|---|
With iodine; dimethyl sulfoxide; triphenylphosphine at 100℃; for 12h; | 88% |
Conditions | Yield |
---|---|
With acetic acid In ethanol at 70℃; | 88% |
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With acetic acid In ethanol at 70℃; | 88% |
4-(methanesulfonyl)acetophenone
2-Fluorobenzaldehyde
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water at 20℃; for 12h; Claisen-Schmidt Condensation; | 86% |
Conditions | Yield |
---|---|
With copper(II) nitrate trihydrate; iodine at 100℃; for 8h; | 85% |
Trimethyl orthoacetate
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In methanol at 60℃; for 4h; | 85% |
piperonal
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water at 20℃; for 12h; Claisen-Schmidt Condensation; | 85% |
4-(methanesulfonyl)acetophenone
N-methoxylamine hydrochloride
1-(4-(methylsulfonyl)phenyl)ethanone-O-methyl oxime
Conditions | Yield |
---|---|
With sodium acetate In ethanol; water for 2h; Reflux; | 84% |
4-(4-morpholinyl)benzaldehyde
4-(methanesulfonyl)acetophenone
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water at 20℃; Claisen-Schmidt Condensation; | 84% |
4-(methanesulfonyl)acetophenone
4-(bis(2-chloroethyl)amino)benzaldehyde
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water at 20℃; Claisen-Schmidt Condensation; | 84% |
4-(methanesulfonyl)acetophenone
3-Fluorobenzaldehyde
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water at 20℃; for 12h; Claisen-Schmidt Condensation; | 84% |
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.
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