3-Aminothiophene-2-carbaldehyde

Base Information

• Chemical Name: 3-Aminothiophene-2-carbaldehyde
• CAS No.: 56489-01-1
• Molecular Formula: C₅H₅NOS
• Molecular Weight: 127.167
• DSSTox Substance ID: DTXSID50355991
• Nikkaji Number: J653.027C
• Wikidata: Q82135106

Synonyms:3-aminothiophene-2-carbaldehyde;56489-01-1;3-amino-2-formylthiophene;SCHEMBL1695498;DTXSID50355991;MFCD01859836;AKOS006338863;CS-0370441;FT-0729850;EN300-263083;O10948;A869931

Chemical Property of 3-Aminothiophene-2-carbaldehyde

Chemical Property:

• Melting Point: 68-70 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• Boiling Point: 338.6±27.0 °C(Predicted)
• PKA: 0.02±0.10(Predicted)
• Density: 1.369±0.06 g/cm3(Predicted)
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.00918496
• Heavy Atom Count: 8
• Complexity: 96.4

Purity/Quality:

97% ^*data from raw suppliers

3-Aminothiophene-2-carbaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CSC(=C1N)C=O

Technology Process of 3-Aminothiophene-2-carbaldehyde

There total 1 articles about 3-Aminothiophene-2-carbaldehyde 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:

3-bromo-2-thiophenecarboxaldehyde (930-96-1) → 3-aminothiophene 2-carboxaldehyde (56489-01-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / NaN₃ / various solvent(s) / 24 h / 35 °C

2: 86 percent / NH₄SH / methanol / 0.17 h / 20 °C

With sodium azide; ammonium sulfide; In methanol;

DOI:10.3987/COM-05-10486

Reference yield: 21.0%

cobalt(II) tetrafluoroborate hexahydrate (15684-35-2) + 3-aminothiophene 2-carboxaldehyde (56489-01-1) + 2,6-bis({bis[(1-methyl-4,5-diphenyl-1H-imidazol-2-yl)methyl]amino}methyl)-4-methylphenol + N,N-dimethyl-formamide (68-12-2,33513-42-7) → C80H77Co2N11O2S(2+)*2BF4(1-)

Guidance literature:

3-aminothiophene 2-carboxaldehyde; 2,6-bis({bis[(1-methyl-4,5-diphenyl-1H-imidazol-2-yl)methyl]amino}methyl)-4-methylphenol; N,N-dimethyl-formamide; With triethylamine; at 20 ℃; for 0.0833333h; Inert atmosphere;

cobalt(II) tetrafluoroborate hexahydrate; at 20 ℃; for 120h; Inert atmosphere;

DOI:10.1021/acs.inorgchem.8b01588

Reference yield:

pyruvic acid methyl ester (600-22-6) + 3-aminothiophene 2-carboxaldehyde (56489-01-1) → thieno[3,2-b]pyridine-5-carboxylic acid (56473-92-8)

Guidance literature:

With water; potassium hydroxide; In ethanol; at 70 ℃; for 3h;

upstream raw materials:

3-bromo-2-thiophenecarboxaldehyde

Downstream raw materials:

thieno[3,2-b]pyridine-5-carboxylic acid

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