4-(2-Amino-4-chloroanilino)thiophene-3-carbonitrile

Base Information

• Chemical Name: 4-(2-Amino-4-chloroanilino)thiophene-3-carbonitrile
• CAS No.: 61325-31-3
• Molecular Formula: C11H8ClN3S
• Molecular Weight: 249.724
• DSSTox Substance ID: DTXSID20606563
• Wikidata: Q82505366

Synonyms:61325-31-3;4-(2-Amino-4-chloroanilino)thiophene-3-carbonitrile;SCHEMBL11531765;DTXSID20606563;CBDBOPRMOSLMKI-UHFFFAOYSA-N;3-(4-Chloro-2-aminoanilino)-thiophene-4-nitrile

Chemical Property of 4-(2-Amino-4-chloroanilino)thiophene-3-carbonitrile

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 249.0127461
• Heavy Atom Count: 16
• Complexity: 290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)N)NC2=CSC=C2C#N

Technology Process of 4-(2-Amino-4-chloroanilino)thiophene-3-carbonitrile

There total 4 articles about 4-(2-Amino-4-chloroanilino)thiophene-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: 100.0%

3-(4-chloro-2-nitroanilino)-4-cyanothiophene (61325-10-8) → 3-(4-chloro-2-aminoanilino)-4-cyanothiophene (61325-31-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate; for 2h; under 3102.9 Torr; Ambient temperature;

DOI:10.1021/jm00182a014

Reference yield:

4-oxotetrahydrothiophene-3-carbonitrile (16563-14-7) → 3-(4-chloro-2-aminoanilino)-4-cyanothiophene (61325-31-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / BF₃*Et₂O / toluene / 4 h / Heating

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

3: 100 percent / hydrogen / 10percent Pd/C / ethanol; ethyl acetate / 2 h / 3102.9 Torr / Ambient temperature

With boron trifluoride diethyl etherate; hydrogen; chloranil; palladium on activated charcoal; In ethanol; ethyl acetate; toluene; xylene;

DOI:10.1021/jm00182a014

Reference yield:

4-Chloro-2-nitroaniline (89-63-4) → 3-(4-chloro-2-aminoanilino)-4-cyanothiophene (61325-31-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / BF₃*Et₂O / toluene / 4 h / Heating

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

3: 100 percent / hydrogen / 10percent Pd/C / ethanol; ethyl acetate / 2 h / 3102.9 Torr / Ambient temperature

With boron trifluoride diethyl etherate; hydrogen; chloranil; palladium on activated charcoal; In ethanol; ethyl acetate; toluene; xylene;

DOI:10.1021/jm00182a014

upstream raw materials:

3-(4-chloro-2-nitroanilino)-4-cyanothiophene

4-oxotetrahydrothiophene-3-carbonitrile

4-Chloro-2-nitroaniline

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

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