8,10,12-Trimethyl-4-(4-methylphenyl)-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione

Base Information

• Chemical Name: 8,10,12-Trimethyl-4-(4-methylphenyl)-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione
• CAS No.: 334668-90-5
• Molecular Formula: C₁₈H₁₆N₄O₄
• Molecular Weight: 352.349
• DSSTox Substance ID: DTXSID00383047
• Nikkaji Number: J2.640.161E
• Wikidata: Q82174606

Synonyms:334668-90-5;8,10,12-Trimethyl-4-(4-methylphenyl)-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione;AC1MDBDJ;Oprea1_593535;DTXSID00383047;2-(4-Methylphenyl)-5,6,8-trimethyl-1-oxa-3,5,6,8-tetraaza-1H-cyclopenta[a]naphthalene-4,7,9(5H,6H,8H)-trione

Chemical Property of 8,10,12-Trimethyl-4-(4-methylphenyl)-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 352.11715500
• Heavy Atom Count: 26
• Complexity: 697

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC3=C(O2)C4=C(N(C3=O)C)N(C(=O)N(C4=O)C)C

Technology Process of 8,10,12-Trimethyl-4-(4-methylphenyl)-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione

There total 1 articles about 8,10,12-Trimethyl-4-(4-methylphenyl)-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione 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: 76.0%

6-amino-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione hydrochloride (1078574-73-8) + 4-methyl-benzoyl chloride (874-60-2) → 5,6,8-trimethyl-2-(4-methylphenyl)[1,3]oxazolo[5',4':4,5]pyrido[2,3-d]pyrimidine-4,7,9(5H,6H,8H)-trione (334668-90-5)

Guidance literature:

With PPA; at 150 ℃; for 4h;

DOI:10.1002/jhet.5570450517

upstream raw materials:

6-amino-5-hydroxy-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione hydrochloride

4-methyl-benzoyl chloride

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