6-Methylpyridazine-3-carbonitrile

Base Information

• Chemical Name: 6-Methylpyridazine-3-carbonitrile
• CAS No.: 49840-90-6
• Molecular Formula: C₆H₅N₃
• Molecular Weight: 119.126
• Hs Code.: 2933990090
• European Community (EC) Number: 695-331-6
• DSSTox Substance ID: DTXSID20545721
• Nikkaji Number: J466.159A
• Wikidata: Q82423307
• Mol file: 49840-90-6.mol

Synonyms:6-METHYLPYRIDAZINE-3-CARBONITRILE;49840-90-6;3-CYANO-6-METHYLPYRIDAZINE;6-METHYL-3-PYRIDAZINECARBONITRILE;MFCD13190728;3-PYRIDAZINECARBONITRILE, 6-METHYL-;3-Cyano-6-methyl pyridazine;3-methyl-6-cyanopyridazine;SCHEMBL3906820;DTXSID20545721;MBVKWGKPRADLAP-UHFFFAOYSA-N;AMY11794;ZBA84090;AKOS015949259;PB21293;AS-33685;SY022990;CS-0050158;EN300-118619;A871711;A1-03449;J-518917;Z1255388520

Chemical Property of 6-Methylpyridazine-3-carbonitrile

Chemical Property:

• Melting Point: 86-87 °C
• Boiling Point: 338.1±22.0 °C(Predicted)
• PKA: -0.02±0.10(Predicted)
• PSA: 49.57000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 0.65668
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 119.048347172
• Heavy Atom Count: 9
• Complexity: 135

Purity/Quality:

97% ^*data from raw suppliers

6-Methylpyridazine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C(C=C1)C#N

Technology Process of 6-Methylpyridazine-3-carbonitrile

There total 6 articles about 6-Methylpyridazine-3-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: 99.0%

2-(4-toluenesulfonyl)-2,3-dihydro-6-methyl-3-pyridazinecarbonitrile (106861-15-8) → 6-methylpyridazine-3-carbonitrile (49840-90-6)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; for 1h;

Reference yield: 75.0%

zinc(II) cyanide (557-21-1) + 3-chloro-6-methylpyridazine (1121-79-5) → 6-methylpyridazine-3-carbonitrile (49840-90-6)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; zinc; In N,N-dimethyl acetamide; at 120 ℃; Inert atmosphere;

Reference yield: 62.0%

3-methylpyridazine (1632-76-4) + trimethylsilyl cyanide (7677-24-9) → 6-methylpyridazine-3-carbonitrile (49840-90-6)

Guidance literature:

3-methylpyridazine; With trifluoromethylsulfonic anhydride; In chloroform; at 20 ℃; for 1h; Inert atmosphere; Sealed tube;

trimethylsilyl cyanide; In chloroform; at 60 ℃; for 3h; Inert atmosphere; Sealed tube;

With 4-methyl-morpholine; In chloroform; at 60 ℃; for 17h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201703931

upstream raw materials:

2-(4-toluenesulfonyl)-2,3-dihydro-6-methyl-3-pyridazinecarbonitrile

3-methylpyridazine

trimethylsilyl cyanide

1,8-diazabicyclo[5.4.0]undec-7-ene

Downstream raw materials:

6-methyl-3-pyridazinecarboxylic acid