1,3,8-Trimethyl-6-phenylpteridine-2,4,7-trione

Base Information

• Chemical Name: 1,3,8-Trimethyl-6-phenylpteridine-2,4,7-trione
• CAS No.: 109853-23-8
• Molecular Formula: C15H14N4O3
• Molecular Weight: 298.301
• DSSTox Substance ID: DTXSID20357265
• Wikidata: Q82137115

Synonyms:AO-435/41051626;109853-23-8;SCHEMBL15106581;DTXSID20357265

Chemical Property of 1,3,8-Trimethyl-6-phenylpteridine-2,4,7-trione

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 298.10659032
• Heavy Atom Count: 22
• Complexity: 616

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C(=O)N2C)C)N=C(C1=O)C3=CC=CC=C3

Technology Process of 1,3,8-Trimethyl-6-phenylpteridine-2,4,7-trione

There total 2 articles about 1,3,8-Trimethyl-6-phenylpteridine-2,4,7-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: 84.0%

2,3,4,5-tetraphenylfuran (1056-77-5) + 6-phenyl-1,3,8-trimethylpteridin-2,4,7-trione 6,8'-endoperoxide (109853-24-9) → cis-dibenzoylstilbene oxide (7731-74-0) + 1,3,8-trimethyl-6-phenylpteridine-2,4,7-trione (109853-23-8)

Guidance literature:

In dichloromethane; Product distribution; Heating; var. singlet oxygen acceptors; var. mol ratios; influence of singlet oxygen quencher (DABCO); comparison with photooxidative conditions;

DOI:10.1016/S0040-4020(01)96029-6

Reference yield:

6-phenyl-1,3,8-trimethylpteridin-2,4,7-trione 6,8'-endoperoxide (109853-24-9) → 1,3,8-trimethyl-6-phenylpteridine-2,4,7-trione (109853-23-8)

Guidance literature:

In dichloromethane; Heating; formation of singlet oxigen;

DOI:10.1016/S0040-4039(00)85287-9

Reference yield: 93.0%

methanol (67-56-1) + 1,3,8-trimethyl-6-phenylpteridine-2,4,7-trione (109853-23-8) → 6-phenyl-1,3,8-trimethyl-5'-methoxypteridin-2,4,7-trione 6,8'-endoperoxide (109853-25-0)

Guidance literature:

With oxygen; methylene blue; for 2h; Ambient temperature; Irradiation;

DOI:10.1016/S0040-4020(01)96029-6

upstream raw materials:

2,3,4,5-tetraphenylfuran

6-phenyl-1,3,8-trimethylpteridin-2,4,7-trione 6,8'-endoperoxide

Downstream raw materials:

6-phenyl-1,3,8-trimethyl-5'-methoxypteridin-2,4,7-trione 6,8'-endoperoxide

6-phenyl-1,3,8-trimethylpteridin-2,4,7-trione 6,8'-endoperoxide

1,3-dimethyl-5-benzoylamino-5-methoxybarbituric acid

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