3-(METHYLSULFONYL)ANILINE
- Product Name
- 3-(METHYLSULFONYL)ANILINE
- CAS No.
- 35216-39-8
- Chemical Name
- 3-(METHYLSULFONYL)ANILINE
- Synonyms
- m-(Methylsulfonyl)aniline;3-(Methylsulphonyl)aniline;3-Methylsulfonylphenylamine;P-Toluene Suphonamide (PTSA);3-Aminophenyl methyl sulfone;3-(methylsulfonyl)Benzenamine;3-Aminophenyl methyl sulphone;Benzenamine, 3-(methylsulfonyl)-
- CBNumber
- CB2500645
- Molecular Formula
- C7H9NO2S
- Formula Weight
- 171.22
- MOL File
- 35216-39-8.mol
3-(METHYLSULFONYL)ANILINE Property
- Melting point:
- 72 °C
- Boiling point:
- 165-170 °C(Press: 0.3 Torr)
- Density
- 1.282±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- 2.66±0.10(Predicted)
- color
- Light red
Safety
- HS Code
- 2921420090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- M218785
- Product name
- 3-(Methanesulfonyl)aniline
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- M218785
- Product name
- 3-(Methanesulfonyl)aniline
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 127742
- Product name
- 3-(Methylsulphonyl)aniline
- Purity
- >95%
- Packaging
- 500mg
- Price
- $134
- Updated
- 2021/12/16
- Product number
- 8663-1-Z6
- Product name
- 3-(Methylsulfonyl)aniline
- Packaging
- 1g
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 8663-1-Z6
- Product name
- 3-(Methylsulfonyl)aniline
- Packaging
- 5G
- Price
- $176
- Updated
- 2021/12/16
3-(METHYLSULFONYL)ANILINE Chemical Properties,Usage,Production
Uses
3-(Methylsulfonyl)aniline is used in the preparation of substituted pyrazolopyrimidines as IRAK4 kinase inhibitors.
Synthesis
1783-81-9
35216-39-8
General procedure for the synthesis of 3-methylsulfonylaniline from 3-aminothioanisole: A mixture of Na2WO4 (0.067 g), 1 drop of acetic acid and H2O (5 mL) was added to a flask and heated to 65 °C. Subsequently, 3-methylthioaniline (500 mg, 3.59 mmol) was added and H2O2 (1.1 mL, 10.77 mmol) was added slowly and dropwise. The reaction mixture was stirred at 65 °C for 1.5 hours. After completion of the reaction, it was cooled to room temperature and extracted by adding 1N HCl (80 mL) and DCM (50 mL). The organic and aqueous phases were separated and the aqueous phase was then washed with DCM. The aqueous phase was alkalized with 25% NaOH solution and extracted with DCM. The organic phases were combined, washed with brine and dried over Na2SO4. The solvent was removed under reduced pressure to give the 3-methylsulfonylaniline derivative.Preparation of 3-(methylsulfonyl)aniline (158): Compound 158 was prepared from 3-methylsulfonylaniline (153) according to Method E. 557 mg of brown powder was obtained in 92% yield.1H NMR (500 MHz, CDCl3) δ 3.03 (s, 3H), 6.89 (ddd, J = 0.8, 2.3, 8.0 Hz, 1H), 7.21 (t, J = 2.1 Hz, 1H), 7.24 (dt, J = 1.1, 7.7 Hz, 1H), 7.30 (t, J = 7.8 Hz, 1H). 13C NMR (126 MHz, CDCl3) δ 44.40, 112.69, 116.37, 119.72, 130.30, 141.16, 141.16. 130.30, 141.16, 147.69. LC-MS (M+H+) calculated value C7H9NO2S 172, measured value 172.
References
[1] Patent: WO2014/100833, 2014, A1. Location in patent: Paragraph 0080; 0232
[2] Patent: WO2007/60026, 2007, A1. Location in patent: Page/Page column 49-50
[3] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 18, p. 4741 - 4745
3-(METHYLSULFONYL)ANILINE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-(METHYLSULFONYL)ANILINE manufacturers
- Product
- 3-(METHYLSULFONYL)ANILINE 35216-39-8
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 20T
- Release date
- 2024-08-16
- Product
- 3-(METHYLSULFONYL)ANILINE 35216-39-8
- Price
- US $0.01/KG
- Min. Order
- 1KG
- Purity
- 98%; 99%
- Supply Ability
- 500g;1kg; 25kg
- Release date
- 2020-01-09