3-(Propane-2-sulfonyl)aniline

Base Information

Chemical Name:3-(Propane-2-sulfonyl)aniline
CAS No.:170856-37-8
Molecular Formula:C₉H₁₃NO₂S
Molecular Weight:199.274
Hs Code.:2921420090
DSSTox Substance ID:DTXSID00508713
Wikidata:Q82365855
Mol file:170856-37-8.mol

Synonyms:3-(Propane-2-sulfonyl)aniline;170856-37-8;3-propan-2-ylsulfonylaniline;MFCD09909519;3-Isopropylsulfonylaniline;SCHEMBL2868837;DTXSID00508713;UNOAJKVKTDUTAI-UHFFFAOYSA-N;VGA85637;AKOS006311189;BS-27485;CS-0211231;FT-0740327

Suppliers and Price of 3-(Propane-2-sulfonyl)aniline

Supply Marketing:

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

TRC
3-(Propane-2-sulfonyl)aniline
100mg
$ 60.00

TRC
3-(Propane-2-sulfonyl)aniline
50mg
$ 45.00

Crysdot
3-(Propane-2-sulfonyl)aniline 95+%
5g
$ 452.00

CHESS?
PF100694:3-ISOPROPYLSULFONYLANILINE 98
1 g
$ 180.00

CHESS?
PF100694:3-ISOPROPYLSULFONYLANILINE 98
5 g
$ 540.00

AK Scientific
3-(Propane-2-sulfonyl)aniline
5g
$ 691.00

Total 2 raw suppliers

Chemical Property of 3-(Propane-2-sulfonyl)aniline

Chemical Property:

Boiling Point:402.0±37.0 °C(Predicted)
PKA:2.75±0.10(Predicted)
PSA：68.54000
Density:1.194±0.06 g/cm3(Predicted)
LogP:3.11290
XLogP3:1.1
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

3-(Propane-2-sulfonyl)aniline ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)S(=O)(=O)C1=CC=CC(=C1)N
Uses 3-(Propane-2-sulfonyl)aniline is used as a reactant in the preparation of aryltriazinediamines as IDH2 inhibitors useful in the treatment of cancer.

Technology Process of 3-(Propane-2-sulfonyl)aniline

There total 5 articles about 3-(Propane-2-sulfonyl)aniline 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: 63.0%

: 80213-20-3
1-nitro-3-(propane-2-sulfonyl)benzene

: 170856-37-8
3-(propan-2-ylsulphonyl)aniline

Guidance literature:: With iron; acetic acid; at 80 ℃; for 3h;
DOI:10.1248/cpb.c17-00784

Reference yield:

: 4238-09-9
phenyl isopropyl sulfone

: 170856-37-8
3-(propan-2-ylsulphonyl)aniline

Guidance literature:: Multi-step reaction with 2 steps

1: 94.1 percent / 96percent H₂SO₄, KNO₃ / 1 h / 90 - 100 °C

2: Fe, HCl / ethanol; H₂O / 2 h / Heating

With hydrogenchloride; sulfuric acid; iron; potassium nitrate; In ethanol; water;
DOI:10.1002/hlca.19810640618

Reference yield:

: 537-91-7
bis(3-nitrophenyl) disulfide

: 170856-37-8
3-(propan-2-ylsulphonyl)aniline

Guidance literature:: Multi-step reaction with 3 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 0.03 h / 20 °C

1.2: 2 h / 20 °C

2.1: 3-chloro-benzenecarboperoxoic acid / chloroform / 14 h / 20 - 50 °C

3.1: acetic acid; iron / 3 h / 80 °C

With iron; potassium carbonate; acetic acid; 3-chloro-benzenecarboperoxoic acid; In chloroform; N,N-dimethyl-formamide;
DOI:10.1248/cpb.c17-00784