3-Aminothiophene-2-carbonitrile

Base Information

• Chemical Name: 3-Aminothiophene-2-carbonitrile
• CAS No.: 56489-05-5
• Molecular Formula: C5H4N2S
• Molecular Weight: 124.166
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60446304
• Nikkaji Number: J3.204.629K
• Wikidata: Q72435133
• Mol file: 56489-05-5.mol

Synonyms:3-aminothiophene-2-carbonitrile;56489-05-5;3-AMINO-2-CYANO-THIOPHENE;2-Thiophenecarbonitrile, 3-amino-;aminocyanothiophene;SCHEMBL940620;DTXSID60446304;MFCD00130100;AKOS006275449;AB03684;AS-35617;CS-0139567;FT-0741387;EN300-262436;A869930;J-511738

Chemical Property of 3-Aminothiophene-2-carbonitrile

Chemical Property:

• Melting Point: 49-50℃
• Boiling Point: 352.6±27.0 °C(Predicted)
• PKA: 1.48±0.10(Predicted)
• PSA: 78.05000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 1.78318
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 124.00951931
• Heavy Atom Count: 8
• Complexity: 126

Purity/Quality:

97% ^*data from raw suppliers

3-aminothiophene-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1N)C#N
• Uses: 3-aminothiophene-2-carbonitrile is a useful research chemical.

Technology Process of 3-Aminothiophene-2-carbonitrile

There total 6 articles about 3-Aminothiophene-2-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: 95.0%

3-azido-2-cyanothiophene (56488-94-9) → 3-aminothiophene-2-carbonitrile (56489-05-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 4h;

DOI:10.1002/jhet.186

Reference yield: 16.0%

3-bromo-thiophene-2-carbonitrile (18791-98-5) → 3-aminothiophene-2-carbonitrile (56489-05-5)

Guidance literature:

3-bromo-thiophene-2-carbonitrile; With Benzophenone imine; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 110 ℃; for 12h;

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 2h;

With triethylamine; at 20 ℃; for 0.5h;

Reference yield:

propiolonitrile (1070-71-9) + mercaptoacetonitrile sodium salt (54524-32-2) → 3-aminothiophene-2-carbonitrile (56489-05-5)

Guidance literature:

In tetrahydrofuran; at -78 ℃;

DOI:10.1002/jhet.5570230631

upstream raw materials:

propiolonitrile

mercaptoacetonitrile sodium salt

3-aminothieno<3,2-c>isothiazole

3-aminothiophene-2-thiocarboxamide

Downstream raw materials:

C₂₀H₂₀N₆OS₂

3-(3-oxo-5-phenylcyclohex-1-enylamino)thiophene-2-carbonitrile

3-(5-(4-chlorophenyl)-3-oxocyclohex-1-enylamino)thiophene-2-carbonitrile

3-(5-(4-methoxyphenyl)-3-oxocyclohex-1-enylamino)thiophene-2-carbonitrile