6-Amino-3-(4-methylbenzoyl)pyridazine

Base Information

• Chemical Name: 6-Amino-3-(4-methylbenzoyl)pyridazine
• CAS No.: 591734-12-2
• Molecular Formula: C12H11N3O
• Molecular Weight: 213.239
• DSSTox Substance ID: DTXSID70455821
• Wikidata: Q82277965

Synonyms:6-amino-3-(4-methylbenzoyl)pyridazine;591734-12-2;(6-aminopyridazin-3-yl)-(4-methylphenyl)methanone;DTXSID70455821;(6-Aminopyridazin-3-yl)(4-methylphenyl)methanone

Chemical Property of 6-Amino-3-(4-methylbenzoyl)pyridazine

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 213.090211983
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=NN=C(C=C2)N

Technology Process of 6-Amino-3-(4-methylbenzoyl)pyridazine

There total 2 articles about 6-Amino-3-(4-methylbenzoyl)pyridazine 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: 58.0%

(6-chloro-pyridazin-3-yl)-p-tolyl-methanone → 6-amino-3-(4-methylbenzoyl)pyridazine (591734-12-2)

Guidance literature:

With ammonia; In ethanol; at 145 ℃; for 16h;

DOI:10.1021/jm020583i

Reference yield:

(4-methylphenyl)acetonitrile (2947-61-7) → 6-amino-3-(4-methylbenzoyl)pyridazine (591734-12-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tBuOK / N,N-dimethyl-acetamide / 0.5 h / 0 °C

1.2: N,N-dimethyl-acetamide / 1 h / 20 °C

1.3: aq. H₂O₂ / N,N-dimethyl-acetamide / 1 h / 0 °C

2.1: 58 percent / NH₃ / ethanol / 16 h / 145 °C

With potassium tert-butylate; ammonia; In ethanol; N,N-dimethyl acetamide;

DOI:10.1021/jm020583i

Reference yield: 76.0%

p-toluenesulfonyl chloride (98-59-9) + 6-amino-3-(4-methylbenzoyl)pyridazine (591734-12-2) → N-[6-(4-methylbenzoyl)-2H-pyridazin-3-ylidene]-4-methylbenzenesulfonamide (591734-15-5)

Guidance literature:

With pyridine; at 80 - 90 ℃; for 24h;

DOI:10.1021/jm020583i

upstream raw materials:

(4-methylphenyl)acetonitrile

Downstream raw materials:

N-[6-(4-methylbenzoyl)-2H-pyridazin-3-ylidene]-4-methylbenzenesulfonamide

2,2,2-trifluoro-N-[3-(4-fluorophenyl)-6-(4-methylbenzoyl)imidazo[1,2-b]pyridazin-2-yl]acetamide

2-[3-(4-methylbenzoyl)-6-(toluene-4-sulfonylimino)-6H-pyridazin-1-yl]-2-(4-fluorophenyl)acetamide

2-(2,2,2-trifluoroacetamido)-3-(4-fluorophenyl)-6-[(Z)-2-N-methylcarbamoyl-1-(4-methylphenyl)vinyl]imidazo[1,2-b]pyridazine

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