5,6-Diphenyl-3-sulfanyl-4-pyridazinecarbonitrile

Base Information

• Chemical Name: 5,6-Diphenyl-3-sulfanyl-4-pyridazinecarbonitrile
• CAS No.: 112450-34-7
• Molecular Formula: C17H11N3S
• Molecular Weight: 289.36
• DSSTox Substance ID: DTXSID60385062
• Nikkaji Number: J355.588G
• Wikidata: Q82177619
• Mol file: 112450-34-7.mol

Synonyms:112450-34-7;5,6-diphenyl-3-sulfanyl-4-pyridazinecarbonitrile;3,4-diphenyl-6-sulfanylidene-1H-pyridazine-5-carbonitrile;Maybridge4_003002;ST50987554;DTXSID60385062;HMS1529I10;AKOS024358408;CCG-249872;4-cyano-5,6-diphenylpyridazine-3(2h)-thione;AE-641/14883044;2,3-Dihydro-3-thioxo-5,6-diphenylpyridazine-4-carbonitrile

Chemical Property of 5,6-Diphenyl-3-sulfanyl-4-pyridazinecarbonitrile

Chemical Property:

• PSA: 88.37000
• LogP: 3.97098
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 289.06736854
• Heavy Atom Count: 21
• Complexity: 526

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=S)NN=C2C3=CC=CC=C3)C#N

Technology Process of 5,6-Diphenyl-3-sulfanyl-4-pyridazinecarbonitrile

There total 10 articles about 5,6-Diphenyl-3-sulfanyl-4-pyridazinecarbonitrile 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: 92.0%

3-chloro-5,6-diphenylpyridazine-4-carbonitrile (94011-79-7) → 4-cyano-5,6-diphenylpyridazine-3 (2H)-thione (112450-34-7)

Guidance literature:

With sodium hydrogensulfide; In ethanol; for 0.5h; Ambient temperature;

DOI:10.1007/BF00807079

Reference yield: 55.0%

3-oxo-5,6-diphenyl-2,3-dihydro-pyridazine-4-carbonitrile (79225-55-1) → 4-cyano-5,6-diphenylpyridazine-3 (2H)-thione (112450-34-7)

Guidance literature:

With pyridine; tetraphosphorus decasulfide;

DOI:10.1002/ardp.19903231014

Reference yield:

Cyanothioacetamide (7357-70-2) + benzil monohydrazone (5344-88-7) → 4-cyano-5,6-diphenylpyridazin-3(2H)-thione (112450-34-7)

Guidance literature:

With piperidine; In ethanol; for 5h; Heating;

upstream raw materials:

3-oxo-5,6-diphenyl-2,3-dihydro-pyridazine-4-carbonitrile

3-chloro-5,6-diphenylpyridazine-4-carbonitrile

benzil monohydrazone

Cyanothioacetamide

Downstream raw materials:

5-amino-3,4-diphenyl-7H-pyrazolo-<3,4-c>-pyridazine

4-carboxy-5,6-diphenylpyridazin-3(2H)-thione

ethyl 5-amino-3,4-diphenylfuro<2,3-c>pyridazine-6-carboxylate

ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbohydrazide

Refernces

• 1、 Quintela,Veiga,Alvarez-Sarandes,Peinador. "Synthesis of Pyrimido[4′,5′:4,5]thieno[2,3-c]-pyridazine Derivatives". . p. 537 - 547. Retrieved 2007/10/03.
• 2、 Khalifa, Fathy A.. "BENZIL IN HETEROCYCLIC SYNTHESIS: SYNTHESIS AND REACTIONS OF 3,4-DIPHENYL-5-CYANO-PYRIDAZINE-6-THIONE". . p. 81 - 86. Retrieved 2007/10/02.