2-(4-Fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitrothiophene

Base Information

Chemical Name:2-(4-Fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitrothiophene
CAS No.:140403-30-1
Molecular Formula:C17H12FNO4S2
Molecular Weight:377.417
Hs Code.:
DSSTox Substance ID:DTXSID00442921
Wikidata:Q82260526
ChEMBL ID:CHEMBL317606
Mol file:140403-30-1.mol

Synonyms:CHEMBL317606;140403-30-1;SCHEMBL8985421;DTXSID00442921;LOSPPOPSQTVSGF-UHFFFAOYSA-N;2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitrothiophene;BDBM50288393;2-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-nitro-thiophene;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-nitrothiophene

Suppliers and Price of 2-(4-Fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitrothiophene

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 2-(4-Fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitrothiophene

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:377.01917837
Heavy Atom Count:25
Complexity:572

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CS(=O)(=O)C1=CC=C(C=C1)C2=C(SC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

Technology Process of 2-(4-Fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitrothiophene

There total 8 articles about 2-(4-Fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitrothiophene 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: 48.0%

: 88149-87-5
2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]thiophene

: 140403-30-1
2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitrothiophene

Guidance literature:: With nitric acid; acetic anhydride; at 0 ℃; for 2h;
DOI:10.1248/cpb.46.279

Reference yield:

: 36187-57-2
1-(4-fluorophenyl)-2-(4-(methylthio)phenyl)ethanone

: 140403-30-1
2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitrothiophene

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) POCl₃ / 1.) 1,2-dichloroethane, RT, 30 min, 2.) 1,2-dichloroethane, reflux, 10 h

2: 37 percent / Et₃N, pyridine / 1.) 70 deg C, 1 h, 2.) reflux, 3 h

3: mCPBA / CH₂Cl₂

4: 48 percent / HNO₃, Ac₂O / 2 h / 0 °C

With pyridine; nitric acid; acetic anhydride; triethylamine; 3-chloro-benzenecarboperoxoic acid; trichlorophosphate; In dichloromethane;
DOI:10.1248/cpb.46.279

Reference yield:

: 204512-50-5
(Z)-3-Chloro-3-(4-fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)-propenal

: 140403-30-1
2-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-nitrothiophene

Guidance literature:: Multi-step reaction with 3 steps

1: 37 percent / Et₃N, pyridine / 1.) 70 deg C, 1 h, 2.) reflux, 3 h

2: mCPBA / CH₂Cl₂

3: 48 percent / HNO₃, Ac₂O / 2 h / 0 °C

With pyridine; nitric acid; acetic anhydride; triethylamine; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;
DOI:10.1248/cpb.46.279