2,6-Diamino-4-phenyl-4H-thiopyran-3,5-dicarbonitrile

Base Information

• Chemical Name: 2,6-Diamino-4-phenyl-4H-thiopyran-3,5-dicarbonitrile
• CAS No.: 102434-73-1
• Molecular Formula: C13H10N4S
• Molecular Weight: 254.315
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60351060
• Nikkaji Number: J258.990G
• ChEMBL ID: CHEMBL4450637
• Mol file: 102434-73-1.mol

Synonyms:2,6-Diamino-4-phenyl-4H-thiopyran-3,5-dicarbonitrile;102434-73-1;Maybridge3_000524;Cambridge id 5274770;CHEMBL4450637;SCHEMBL15572548;DTXSID60351060;JAMKVNSBEKQPQS-UHFFFAOYSA-N;HMS1432H18;CCG-55521;STK747071;AKOS000581151;SB81343;IDI1_011911;CL-313377;CS-0318895;AB00078658-01;SR-01000508043;SR-01000508043-1;SR-01000508043-2

Chemical Property of 2,6-Diamino-4-phenyl-4H-thiopyran-3,5-dicarbonitrile

Chemical Property:

• PSA: 124.92000
• LogP: 3.30536
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 254.06261751
• Heavy Atom Count: 18
• Complexity: 470

Purity/Quality:

99% ^*data from raw suppliers

2,6-Diamino-4-phenyl-4H-thiopyran-3,5-dicarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N

Technology Process of 2,6-Diamino-4-phenyl-4H-thiopyran-3,5-dicarbonitrile

There total 9 articles about 2,6-Diamino-4-phenyl-4H-thiopyran-3,5-dicarbonitrile 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: 96.0%

Cyanothioacetamide (7357-70-2) + Benzylidenemalononitrile (2700-22-3) → 2,6-diamino-4-phenyl-3,5-dicyano-4H-thiopyran (102434-73-1)

Guidance literature:

With piperidine; In ethanol; for 3h; Heating;

Reference yield: 95.0%

Cyanothioacetamide (7357-70-2) + benzaldehyde (100-52-7) + malononitrile (109-77-3) → 2,6-diamino-4-phenyl-3,5-dicyano-4H-thiopyran (102434-73-1)

Guidance literature:

With chitosan-grafted-poly(4-vinylpyridine) beads; In ethanol; for 4h; Reflux;

DOI:10.3390/molecules18055288

Reference yield: 88.0%

benzaldehyde (100-52-7) + malononitrile (109-77-3) → 2,6-diamino-4-phenyl-3,5-dicyano-4H-thiopyran (102434-73-1)

Guidance literature:

With propylamine; carbon disulfide; lithium perchlorate; In ethanol; at 20 ℃; for 0.4h; Electrolysis; Green chemistry;

DOI:10.1039/c7nj01211j

upstream raw materials:

Cyanothioacetamide

Benzylidenemalononitrile

benzaldehyde

malononitrile

Downstream raw materials:

N-methylmorpholinium 6-amino-4-phenyl-3,5-dicyano-2-pyridinethiolate

C₁₈H₁₇N₃OS

6-amino-4-phenyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile

2,6-dihydrazine-4-phenyl-3,5-pyridinedicarbonitrile