Thieno[3,2-b]pyridine-6-carbonitrile

Base Information

• Chemical Name: Thieno[3,2-b]pyridine-6-carbonitrile
• CAS No.: 116538-95-5
• Molecular Formula: C8H4 N2 S
• Molecular Weight: 160.19576
• European Community (EC) Number: 821-418-7
• ChEMBL ID: CHEMBL4553010
• DSSTox Substance ID: DTXSID70552925
• Nikkaji Number: J980.514A
• Wikidata: Q82433342
• Mol file: 116538-95-5.mol

Synonyms:Thieno[3,2-b]pyridine-6-carbonitrile;116538-95-5;Thieno[3,2-b]pyridine-6-carbonitrile (9CI);SCHEMBL842815;CHEMBL4553010;DTXSID70552925;MFCD11053768;AKOS006307636;PB20555;AS-50765;CS-0055203;EN300-108056;P11044;Z1198309926

Chemical Property of Thieno[3,2-b]pyridine-6-carbonitrile

Chemical Property:

• Boiling Point: 330.5±22.0 °C(Predicted)
• PKA: 1.52±0.40(Predicted)
• PSA: 64.92000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 2.16798
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 160.00951931
• Heavy Atom Count: 11
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

Thieno[3,2-b]pyridine-6-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC2=C1N=CC(=C2)C#N

Technology Process of Thieno[3,2-b]pyridine-6-carbonitrile

There total 10 articles about Thieno[3,2-b]pyridine-6-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: 93.0%

3-aminothiophene (17721-06-1) + 3,3-dimethyloxy-2-formylpropionitrile sodium salt (105161-33-9) → thieno[3,2-b]pyridine-6-carbonitrile (116538-95-5)

Guidance literature:

3-aminothiophene; 3,3-dimethyloxy-2-formylpropionitrile sodium salt; With hydrogenchloride; In methanol; water; at 20 ℃; for 4h;

With hydrogenchloride; In methanol; water; at 20 ℃; for 12h; Solvent; Temperature; Time;

DOI:10.1055/a-1360-9852

Reference yield: 71.0%

thieno[3,2-b]pyridin-7(4H)-one (69627-02-7) + trimethylsilyl cyanide (7677-24-9) → thieno[3,2-b]pyridine-6-carbonitrile (116538-95-5)

Guidance literature:

With triethylamine; In acetonitrile; at 110 ℃; for 2h; Cooling with ice; Inert atmosphere;

Reference yield: 69.0%

3-aminothiophene hydrochloride (25475-76-7) + sodium (E)-2-cyano-3,3-dimethoxy-prop-1-en-1-olate (105161-33-9) → thieno[3,2-b]pyridine-6-carbonitrile (116538-95-5)

Guidance literature:

With hydrogenchloride; In methanol; for 24h; Heating;

DOI:10.1055/s-1987-28195

upstream raw materials:

3-aminothiophene hydrochloride

sodium (E)-2-cyano-3,3-dimethoxy-prop-1-en-1-olate

3-aminothiophene

dichloromethane

Downstream raw materials:

thieno<3,2-b>pyridine 6-carboxylic acid

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