4-Benzyl-2-(methylsulfanyl)-3-nitro-1H-pyrrole

Base Information

Chemical Name:4-Benzyl-2-(methylsulfanyl)-3-nitro-1H-pyrrole
CAS No.:74188-73-1
Molecular Formula:C12H12N2O2S
Molecular Weight:248.305
Hs Code.:
DSSTox Substance ID:DTXSID60545801
Wikidata:Q82423418

Synonyms:74188-73-1;4-Benzyl-2-(methylsulfanyl)-3-nitro-1H-pyrrole;SCHEMBL10854311;DTXSID60545801;PNAQFQQNFKUJCT-UHFFFAOYSA-N;2-methylthio-3-nitro-4-benzylpyrrole;4-Benzyl-2-(methylthio)-3-nitro-1H-pyrrole

Suppliers and Price of 4-Benzyl-2-(methylsulfanyl)-3-nitro-1H-pyrrole

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

Total 0 raw suppliers

Chemical Property of 4-Benzyl-2-(methylsulfanyl)-3-nitro-1H-pyrrole

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:248.06194880
Heavy Atom Count:17
Complexity:264

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=C(C(=CN1)CC2=CC=CC=C2)[N+](=O)[O-]

Technology Process of 4-Benzyl-2-(methylsulfanyl)-3-nitro-1H-pyrrole

There total 2 articles about 4-Benzyl-2-(methylsulfanyl)-3-nitro-1H-pyrrole 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: 52.0%

: 41173-00-6
1-amino-3-phenylpropan-2-one hydrochloride

: 61832-48-2
1-(methylsulfinyl)-1-(methylthio)-2-nitroethane

: 74188-73-1
2-(methythio)-3-nitro-4-benzylpyrrole

Guidance literature:: With sodium methylate; In methanol; 1.) 60 deg C, 45 min, 2.) reflux, 30 min;
DOI:10.1021/jm00398a028

Reference yield: 28.5%

: 41173-00-6
1-amino-3-phenylpropan-2-one hydrochloride

: 1-nitro-2-methylthio-2-methylsulphinyl-ethylene

: 74188-73-1
2-(methythio)-3-nitro-4-benzylpyrrole

Guidance literature:: With sodium methylate; sodium; In methanol; ethyl acetate;

Reference yield:

: 74188-73-1
2-(methythio)-3-nitro-4-benzylpyrrole

: (4-Benzyl-3-nitro-1H-pyrrol-2-yl)-[2-(pyridin-2-ylmethylsulfanyl)-ethyl]-amine

Guidance literature:: Multi-step reaction with 2 steps

1: 73 percent / H₂O₂ / acetic acid / 4 h / 60 °C

2: 37 percent / ethanol / 120 h / Heating

With dihydrogen peroxide; In ethanol; acetic acid;
DOI:10.1021/jm00398a028