ChemicalBook > CAS DataBase List > 1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE

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
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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
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Safety

Hazard Codes 
Xi
Hazard Note 
Irritant
HS Code 
2930909899
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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.

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N-Bromosuccinimide Price

TCI Chemical
Product number
I1033
Product name
2-(Isopropylsulfonyl)aniline
Purity
>98.0%(GC)
Packaging
1g
Price
$47
Updated
2025/07/31
TCI Chemical
Product number
I1033
Product name
2-(Isopropylsulfonyl)aniline
Purity
>98.0%(GC)
Packaging
5g
Price
$142
Updated
2025/07/31
TRC
Product number
A611880
Product name
2-AminophenylIsopropylSulfone
Packaging
1g
Price
$120
Updated
2021/12/16
Usbiological
Product number
159401
Product name
2-Aminophenyl Isopropyl Sulfone
Packaging
1g
Price
$403
Updated
2021/12/16
TRC
Product number
A611880
Product name
2-AminophenylIsopropylSulfone
Packaging
5g
Price
$415
Updated
2021/12/16
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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

Nanjing Fred Technology Co., Ltd
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
Guangzhou Sunton Biotechnology Co., Ltd.
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
Career Henan Chemical Co
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

76697-50-2, 1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENERelated Search:

β-Caryophyllene Furosemide 2-(7-Methoxynaphthalen-1-yl)acetic acid 2-bromo-3,5-dichlorobenzenamine 1,3-Dimethoxy-2-propanol Dimethyl acetylsuccinate tert-butyl 4-(4-aMino-5-isopropoxy-2-Methylphenyl)piperidine-1-carboxylate 4-(5-isopropoxy-2-Methyl-4-nitrophenyl)pyridine Ceritinib (LDK378) 1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene LDK-378 dihydrochloride 4-Pyrimidinamine, 2,5-dichloro-N-[2-[(1-methylethyl)sulfonyl]phenyl]- 1-broMo-5-fluoro-2-Methyl-4-nitrobenzene 2,4,5-Trichloropyrimidine 1-BroMo-5-isopropoxy-2-Methyl-4-nitrobenzene 5-Methyl-2-(1-Methylethoxy)-4- (4-piperidinyl)- BenzenaMine hydrochloride (1:2) 1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE CIVENTICHEM CV-624

  • 1-AMINO-2-(ISOPROPYLSULPHONYL)BENZENE
  • 1-Amino-2-(isopropylsulfonyl)benzene
  • 2-(Isopropylsulphonyl)aniline
  • 2-(Isopropylsulphonyl)aniline 98%
  • 2-(isopropylsulfonyl)aniline
  • 2-(isopropylsulfonyl)benzenaMine
  • 2-(Propane-2-sulfonyl)-phenylaMine
  • 2-(Isopropylsulphonyl)aniline 1-Amino-2-(isopropylsulfonyl)benzene
  • Benzenamine, 2-[(1-methylethyl)sulfonyl]-
  • 2-propan-2-ylsulfonylaniline
  • 2-(isopropylsulfonyl)a
  • 2-AMinophenyl Isopropyl Sulfone
  • 2-(propane-2-sulfonyl)aniline
  • Ceritinib 2-Aminophenyl Isopropyl Sulfone
  • 2(1H)-Pyridinone,5,6-dihydro-3-(4-morpholinyl)-1-[4-(2-oxo-2-piperidinyl)phenyl]-
  • 2-[(1-Methylethyl)sulfonyl]-benzenamine
  • 1-amino-2-(isoproylsulphonyl)benzene
  • 76697-50-2
  • 7669-50-2