1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE
- Product Name
- 1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE
- CAS No.
- 76697-50-2
- Chemical Name
- 1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE
- Synonyms
- 2-(isopropylsulfonyl)a;2-propan-2-ylsulfonylaniline;2-(isopropylsulfonyl)aniline;2-(Isopropylsulphonyl)aniline;2-(propane-2-sulfonyl)aniline;2-AMinophenyl Isopropyl Sulfone;2-(isopropylsulfonyl)benzenaMine;2-(Isopropylsulphonyl)aniline 98%;2-(Propane-2-sulfonyl)-phenylaMine;1-Amino-2-(isopropylsulfonyl)benzene
- CBNumber
- CB2727345
- Molecular Formula
- C9H13NO2S
- Formula Weight
- 199.27
- MOL File
- 76697-50-2.mol
1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE Property
- Melting point:
- 83.0 to 87.0 °C
- Boiling point:
- 381.1±34.0 °C(Predicted)
- Density
- 1.194±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- -0.79±0.10(Predicted)
- color
- Beige
- InChI
- InChI=1S/C9H13NO2S/c1-7(2)13(11,12)9-6-4-3-5-8(9)10/h3-7H,10H2,1-2H3
- InChIKey
- GMLAMRMKROYXNZ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=CC=C1S(C(C)C)(=O)=O
Safety
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2930909899
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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
- I1033
- Product name
- 2-(Isopropylsulfonyl)aniline
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $47
- Updated
- 2025/07/31
- Product number
- I1033
- Product name
- 2-(Isopropylsulfonyl)aniline
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $142
- Updated
- 2025/07/31
- Product number
- A611880
- Product name
- 2-AminophenylIsopropylSulfone
- Packaging
- 1g
- Price
- $120
- Updated
- 2021/12/16
- Product number
- 159401
- Product name
- 2-Aminophenyl Isopropyl Sulfone
- Packaging
- 1g
- Price
- $403
- Updated
- 2021/12/16
- Product number
- A611880
- Product name
- 2-AminophenylIsopropylSulfone
- Packaging
- 5g
- Price
- $415
- Updated
- 2021/12/16
1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE Chemical Properties,Usage,Production
Uses
2-Aminophenyl Isopropyl Sulfone is a reagent used in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment.
Synthesis
70415-86-0
76697-50-2
Step 3: Preparation of 2-(isopropylsulfonyl)aniline (4); 1-(isopropylsulfonyl)-2-nitrobenzene (3, 2 g, 8.73 mmol) was dissolved in methanol (25 ml) to form a homogeneous mixture. 10% palladium carbon (200 mg, 10 mol%) was added to the mixture and the reaction mixture was stirred under hydrogen atmosphere for 6 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) to confirm the complete conversion of feedstock 3 to product 4. Upon completion of the reaction, the mixture was filtered through diatomaceous earth, and the filtrate was concentrated under reduced pressure to afford 2-(isopropylsulfonyl)aniline (4, 1.73 g, quantitative yield).' HNMR (CDCl3): δ 7.66-7.62 (d, 1H), 7.40-7.30 (t, 1H), 6.85-6.78 (t, 1H), 6.73-6.70 (d, 1H), 5.10 (br s, 1H), 3.40-3.30 (m, 1H), 1.30 (s, 6H).
References
[1] Patent: WO2011/140338, 2011, A1. Location in patent: Page/Page column 46-47
[2] Patent: CN106854200, 2017, A. Location in patent: Paragraph 0064
[3] Patent: CN106146468, 2016, A. Location in patent: Paragraph 0088; 0101; 0102
[4] Patent: CN106336382, 2017, A. Location in patent: Paragraph 0099; 0141; 0142; 0143
[5] Patent: US2018/57457, 2018, A1. Location in patent: Paragraph 0260; 0262
1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE manufacturers
- Product
- 2-(Isopropylsulfonyl)aniline 76697-50-2
- Price
- US $0.00-0.00/kg
- Min. Order
- 0.1kg
- Purity
- 99%(HPLC)
- Supply Ability
- 5000kg/Year
- Release date
- 2023-12-14
- Product
- 2-(isopropyl sulfonyl) aniline 7669-50-2
- Price
- US $48.00-40.00/KG
- Min. Order
- 10公斤
- Purity
- 99%
- Supply Ability
- 200tons
- Release date
- 2021-06-04
- Product
- 1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE 76697-50-2
- Price
- US $100.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2018-07-26