1-Amino-2-(isopropylsulphonyl)benzene

Base Information Edit

Chemical Name:1-Amino-2-(isopropylsulphonyl)benzene
CAS No.:76697-50-2
Molecular Formula:C9H13NO2S
Molecular Weight:199.274
Hs Code.:2930909899
European Community (EC) Number:808-271-4
DSSTox Substance ID:DTXSID70505557
Nikkaji Number:J2.971.436C
Mol file:76697-50-2.mol

Synonyms:1-Amino-2-(isopropylsulphonyl)benzene;76697-50-2;2-(ISOPROPYLSULFONYL)ANILINE;2-(Isopropylsulphonyl)aniline;2-(propane-2-sulfonyl)aniline;2-propan-2-ylsulfonylaniline;MFCD08445603;1-Amino-2-(isopropylsulfonyl)benzene;2-Aminophenyl isopropyl sulfone;2-(propan-2-ylsulfonyl)aniline;Benzenamine, 2-[(1-methylethyl)sulfonyl]-;2-isopropylsulfonylaniline;2-(isopropylsulfonyl) aniline;SCHEMBL1015219;2-(isopropylsulfonyl)benzenamine;2-(iso-propylsulfonyl)benzenamine;DTXSID70505557;2-IODO-5-BROMO-THIOPHENE;2-(propane-2-sulfonyl)phenylamine;BCP12286;CS-M2891;AKOS010625403;GS-4017;SB17678;[2-[(Propan-2-yl)sulfonyl]phenyl]amine;AC-29713;SY028185;AM20080582;FT-0600371;I1033;EN300-65799;A838802;J-504178;Z808589378

Suppliers and Price of 1-Amino-2-(isopropylsulphonyl)benzene

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
2-Aminophenyl Isopropyl Sulfone
1g
$ 403.00

TRC
2-AminophenylIsopropylSulfone
5g
$ 415.00

TRC
2-AminophenylIsopropylSulfone
25g
$ 800.00

TRC
2-AminophenylIsopropylSulfone
1g
$ 120.00

TCI Chemical
2-(Isopropylsulfonyl)aniline >98.0%(GC)
1g
$ 49.00

TCI Chemical
2-(Isopropylsulfonyl)aniline >98.0%(GC)
5g
$ 150.00

SynQuest Laboratories
2-(Isopropylsulfonyl)aniline 98%
1 g
$ 109.00

SynQuest Laboratories
2-(Isopropylsulfonyl)aniline 98%
5 g
$ 164.00

SynQuest Laboratories
2-(Isopropylsulfonyl)aniline 98%
250 mg
$ 32.00

SynChem
2-(Propane-2-sulfonyl)phenylamine 95+%
10 g
$ 250.00

Total 111 raw suppliers

Chemical Property of 1-Amino-2-(isopropylsulphonyl)benzene Edit

Chemical Property:

Vapor Pressure:5.19E-06mmHg at 25°C
Melting Point:83.0 to 87.0 °C
Refractive Index:1.548
Boiling Point:381.1 °C at 760 mmHg
PKA:-0.79±0.10(Predicted)
Flash Point:184.3 °C
PSA：68.54000
Density:1.194 g/cm³
LogP:3.11290
Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:199.06669983
Heavy Atom Count:13
Complexity:253

Purity/Quality:

99% ^*data from raw suppliers

2-Aminophenyl Isopropyl Sulfone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)S(=O)(=O)C1=CC=CC=C1N
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.

Technology Process of 1-Amino-2-(isopropylsulphonyl)benzene

There total 12 articles about 1-Amino-2-(isopropylsulphonyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: 70415-86-0
1-(isopropylsulfonyl)-2-nitrobenzene

: 76697-50-2
1-amino-2-(isopropylsulphonyl)benzene

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In methanol; for 6h;

Reference yield: 89.0%

: 70415-85-9
2-(isopropyl sulfanyl)nitrobenzene

: 76697-50-2
1-amino-2-(isopropylsulphonyl)benzene

Guidance literature:: With iron(III) chloride; pyrographite; hydrazine hydrate; In ethanol; at 60 ℃; for 7h; Reflux;
DOI:10.1016/j.ejmech.2016.06.056