Methanone, (4-amino-3-cinnolinyl)(4-methylphenyl)-

Base Information

• Chemical Name: Methanone, (4-amino-3-cinnolinyl)(4-methylphenyl)-
• CAS No.: 91913-27-8
• Molecular Formula: C₁₆H₁₃N₃O
• Molecular Weight: 263.299
• DSSTox Substance ID: DTXSID20462383
• Wikidata: Q82286912
• Mol file: 91913-27-8.mol

Synonyms:Methanone, (4-amino-3-cinnolinyl)(4-methylphenyl)-;91913-27-8;DTXSID20462383;(4-aminocinnolin-3-yl)-p-tolylmethanone

Chemical Property of Methanone, (4-amino-3-cinnolinyl)(4-methylphenyl)-

Chemical Property:

• Boiling Point: 535.4±60.0 °C(Predicted)
• PSA: 68.87000
• Density: 1.273±0.06 g/cm3(Predicted)
• LogP: 3.33260
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 263.105862047
• Heavy Atom Count: 20
• Complexity: 352

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=C(C3=CC=CC=C3N=N2)N

Technology Process of Methanone, (4-amino-3-cinnolinyl)(4-methylphenyl)-

There total 1 articles about Methanone, (4-amino-3-cinnolinyl)(4-methylphenyl)- 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: 53.0%

toluene (108-88-3,15644-74-3,16713-13-6) + 2-phenylhydrazonomalononitrile (306-18-3) → (4-aminocinnolin-3-yl)-p-tolylmethanone (91913-27-8)

Guidance literature:

With aluminium trichloride; for 3h; Heating;

DOI:10.1007/s00706-003-0084-3

Reference yield:

(4-aminocinnolin-3-yl)-p-tolylmethanone (91913-27-8) → 2-Methylsulfanyl-4-p-tolyl-pyrido[3,2-c]cinnoline-3-carbonitrile

Guidance literature:

Multi-step reaction with 3 steps

1: 56 percent / AcONH₄ / 3 h / Heating

2: 86 percent / P₂S₅, pyridine / 4 h / Heating

3: 87 percent / AcONa / ethanol / 1 h / Heating

With pyridine; tetraphosphorus decasulfide; ammonium acetate; sodium acetate; In ethanol;

DOI:10.1139/v98-048

Reference yield:

(4-aminocinnolin-3-yl)-p-tolylmethanone (91913-27-8) → 2-Ethylsulfanyl-4-p-tolyl-pyrido[3,2-c]cinnoline-3-carbonitrile

Guidance literature:

Multi-step reaction with 3 steps

1: 56 percent / AcONH₄ / 3 h / Heating

2: 86 percent / P₂S₅, pyridine / 4 h / Heating

3: 80 percent / AcONa / ethanol / 1 h / Heating

With pyridine; tetraphosphorus decasulfide; ammonium acetate; sodium acetate; In ethanol;

DOI:10.1139/v98-048

upstream raw materials:

toluene

2-phenylhydrazonomalononitrile

Downstream raw materials:

3-cyano-4-(p-tolyl)pyrido[3,2-c]cinnolin-2(1H)-thione

8-Amino-7-p-tolyl-10-thia-5,6,11-triaza-cyclopenta[b]phenanthrene-9-carboxylic acid

3-amino-4-(p-tolyl)thieno[3',2':5,6]pyrido[3,2-c]cinnolin-2-carboxamide

3-cyano-4-(p-tolyl)pyrido[3,2-c]cinnolin-2-thioacetamide