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

Base Information

• Chemical Name: 2-Amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile
• CAS No.: 86604-40-2
• Molecular Formula: C12H10N2OS
• Molecular Weight: 230.29
• ChEMBL ID: CHEMBL3443662
• DSSTox Substance ID: DTXSID50588444
• Nikkaji Number: J2.168.188A
• Wikidata: Q82481113

Synonyms:86604-40-2;2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile;2-AMINO-4-(4-METHOXYPHENYL)-3-THIOPHENECARBONITRILE;3-Thiophenecarbonitrile, 2-amino-4-(4-methoxyphenyl)-;CHEMBL3443662;SCHEMBL15629589;DTXSID50588444;BBL021926;MFCD02854973;STK894643;AKOS004115403;MCULE-9308043663;s12247;NCGC00338806-01;BS-24095;CS-0207230;2-amino-4-(4-methoxyphenyl)-3-thienyl cyanide;AB01331217-02;EN300-6502878

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

Chemical Property:

• PSA: 87.28000
• LogP: 3.45878
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 230.05138412
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-4-(4-methoxyphenyl)-3-thiophenecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CSC(=C2C#N)N

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

There total 2 articles about 2-Amino-4-(4-methoxyphenyl)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: 85.0%

2-(1-(4-methoxyphenyl)ethylidene)malononitrile (2972-85-2) → 2-amino-4-(4-methoxyphenyl)-3-thiophenecarbonitrile (86604-40-2)

Guidance literature:

With sulfur; triethylamine; In ethanol; for 3h; Heating;

DOI:10.1080/104265090889422

Reference yield:

1-(4-methoxyphenyl)ethanone (100-06-1) → 2-amino-4-(4-methoxyphenyl)-3-thiophenecarbonitrile (86604-40-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 82.3 percent / 1,1,1,3,3,3-hexamethyldisilazane; acetic acid / 65 °C

2: 80 percent / S₈; NaHCO₃ / tetrahydrofuran; H₂O / 1.5 h / 35 °C

With sulfur; sodium hydrogencarbonate; acetic acid; 1,1,1,3,3,3-hexamethyl-disilazane; In tetrahydrofuran; water; 1: Knoevenagel condensation / 2: Gewald reaction;

DOI:10.1016/j.tet.2006.07.008

Reference yield: 95.0%

2-amino-4-(4-methoxyphenyl)-3-thiophenecarbonitrile (86604-40-2) + cycloheptanone (502-42-1) → 4-amino-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine (1040392-87-7)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; for 18h; Heating;

DOI:10.1002/jhet.5570450333

upstream raw materials:

2-(1-(4-methoxyphenyl)ethylidene)malononitrile

1-(4-methoxyphenyl)ethanone

Downstream raw materials:

4-amino-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[2,3-b]quinoline

4-amino-3-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine

4-amino-3-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine

C₂₄H₂₀N₂O₂S

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