4-(4-Chloro-2-nitroanilino)-2,5-dihydrothiophene-3-carbonitrile

Base Information

Chemical Name:4-(4-Chloro-2-nitroanilino)-2,5-dihydrothiophene-3-carbonitrile
CAS No.:61325-08-4
Molecular Formula:C11H8ClN3O2S
Molecular Weight:281.722
Hs Code.:
DSSTox Substance ID:DTXSID30505937
Wikidata:Q82361396

Synonyms:61325-08-4;4-(4-Chloro-2-nitroanilino)-2,5-dihydrothiophene-3-carbonitrile;SCHEMBL11532066;DTXSID30505937;PMZYCEFSQGNCRH-UHFFFAOYSA-N;3-(4-Chloro-2-nitroanilino)-2,5-dihydrothiophene-4-nitrile

Suppliers and Price of 4-(4-Chloro-2-nitroanilino)-2,5-dihydrothiophene-3-carbonitrile

Supply Marketing:

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

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Chemical Property of 4-(4-Chloro-2-nitroanilino)-2,5-dihydrothiophene-3-carbonitrile

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:281.0025754
Heavy Atom Count:18
Complexity:426

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(=C(CS1)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C#N

Technology Process of 4-(4-Chloro-2-nitroanilino)-2,5-dihydrothiophene-3-carbonitrile

There total 1 articles about 4-(4-Chloro-2-nitroanilino)-2,5-dihydrothiophene-3-carbonitrile 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: 80.0%

: 16563-14-7
4-oxotetrahydrothiophene-3-carbonitrile

: 89-63-4
4-Chloro-2-nitroaniline

: 61325-08-4
3-(4-chloro-2-nitroanilino)-4-cyano-2,5-dihydrothiophene

Guidance literature:: With boron trifluoride diethyl etherate; In toluene; for 4h; Heating;
DOI:10.1021/jm00182a014

Reference yield: 99.0%

: 61325-08-4
3-(4-chloro-2-nitroanilino)-4-cyano-2,5-dihydrothiophene

: 61325-10-8
3-(4-chloro-2-nitroanilino)-4-cyanothiophene

Guidance literature:: With chloranil; In xylene; for 2h; Heating;
DOI:10.1021/jm00182a014

Reference yield:

: 61325-08-4
3-(4-chloro-2-nitroanilino)-4-cyano-2,5-dihydrothiophene

: 61325-31-3
3-(4-chloro-2-aminoanilino)-4-cyanothiophene

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / chloranil / xylene / 2 h / Heating

2: 100 percent / hydrogen / 10percent Pd/C / ethanol; ethyl acetate / 2 h / 3102.9 Torr / Ambient temperature

With hydrogen; chloranil; palladium on activated charcoal; In ethanol; ethyl acetate; xylene;
DOI:10.1021/jm00182a014