2,3,4,5-Tetrahydro-2-[(4-methylphenyl)sulfonyl]-3-pyridazinecarbonitrile

Base Information

Chemical Name:2,3,4,5-Tetrahydro-2-[(4-methylphenyl)sulfonyl]-3-pyridazinecarbonitrile
CAS No.:106861-18-1
Molecular Formula:C₁₂H₁₃N₃O₂S
Molecular Weight:263.32
Hs Code.:
DSSTox Substance ID:DTXSID301149882

Synonyms:106861-18-1;DTXSID301149882;2,3,4,5-Tetrahydro-2-[(4-methylphenyl)sulfonyl]-3-pyridazinecarbonitrile

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2,3,4,5-Tetrahydro-2-[(4-methylphenyl)sulfonyl]-3-pyridazinecarbonitrile

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:263.07284784
Heavy Atom Count:18
Complexity:463

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC=N2)C#N

Technology Process of 2,3,4,5-Tetrahydro-2-[(4-methylphenyl)sulfonyl]-3-pyridazinecarbonitrile

There total 2 articles about 2,3,4,5-Tetrahydro-2-[(4-methylphenyl)sulfonyl]-3-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: 29.0%

: 106861-14-7
2-[(4-methylphenyl)sulfonyl]-2,3-dihydropyridazine-3-carbonitrile

: 53896-49-4
pyridazine-3-carbonitrile

: 106861-18-1
2-(4-toluenesulfonyl)-2,3,4,5-tetrahydro-3-pyridazinecarbonitrile

Guidance literature:: With sodium tetrahydroborate; In ethanol; for 10h;

Reference yield:

: 98-59-9
p-toluenesulfonyl chloride

: 106861-18-1
2-(4-toluenesulfonyl)-2,3,4,5-tetrahydro-3-pyridazinecarbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / AlCl₃ / CH₂Cl₂ / 5.33 h

2: 32 percent / NaBH₄ / ethanol / 10 h

With sodium tetrahydroborate; aluminium trichloride; In ethanol; dichloromethane;