Benzo(g)pteridine-2,4(3H,10H)-dione, 3,10-dimethyl-

Base Information

• Chemical Name: Benzo(g)pteridine-2,4(3H,10H)-dione, 3,10-dimethyl-
• CAS No.: 4074-59-3
• Molecular Formula: C12H10 N4 O2
• Molecular Weight: 242.237
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80193727
• Nikkaji Number: J864.489F
• Wikidata: Q83066456
• Mol file: 4074-59-3.mol

Synonyms:4074-59-3;3,10-dimethylbenzo[g]pteridine-2,4-dione;Benzo(g)pteridine-2,4(3H,10H)-dione, 3,10-dimethyl-;3,10-Dimethylisoalloxazine;Benzo[g]pteridine-2,4(3H,10H)-dione,3,10-dimethyl-;DTXSID80193727

Chemical Property of Benzo(g)pteridine-2,4(3H,10H)-dione, 3,10-dimethyl-

Chemical Property:

• Vapor Pressure: 3.09E-06mmHg at 25°C
• Boiling Point: 388.3°Cat760mmHg
• Flash Point: 188.6°C
• PSA: 69.78000
• Density: 1.47g/cm³
• LogP: 0.18040
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 242.08037557
• Heavy Atom Count: 18
• Complexity: 483

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2N=C3C1=NC(=O)N(C3=O)C

Technology Process of Benzo(g)pteridine-2,4(3H,10H)-dione, 3,10-dimethyl-

There total 4 articles about Benzo(g)pteridine-2,4(3H,10H)-dione, 3,10-dimethyl- 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: 55.0%

3-Methyl-6-methylamino-5-phenylamino-1H-pyrimidine-2,4-dione (96625-89-7) → 3,10-dimethylisoalloxazine (4074-59-3) + 3-Methyl-6-methylamino-5-[(E)-phenylimino]-5H-pyrimidine-2,4-dione (96625-98-8)

Guidance literature:

With oxygen; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

DOI:10.1039/c39840001691

Reference yield: 40.0%

3-Methyl-6-methylamino-5-[(E)-phenylimino]-5H-pyrimidine-2,4-dione (96625-98-8) → 3,10-dimethylisoalloxazine (4074-59-3) + 3-Methyl-6-methylamino-5-phenylamino-1H-pyrimidine-2,4-dione (96625-89-7)

Guidance literature:

Heating; under argon;

DOI:10.1039/c39840001691

Reference yield:

TEMPOL (45985-24-8,2226-96-2) → tempol (3637-10-3) + 3,10-dimethylisoalloxazine (4074-59-3)

Guidance literature:

reduced 3,10-dimethylisoalloxazine; In water; at 25 ℃; pH=6.65;

upstream raw materials:

3,10-dimethyl-5,10-dihydro-1H-benzo[g]pteridine-2,4-dione

TEMPOL

3-Methyl-6-methylamino-5-phenylamino-1H-pyrimidine-2,4-dione

3-Methyl-6-methylamino-5-[(E)-phenylimino]-5H-pyrimidine-2,4-dione

Downstream raw materials:

3,10-dimethyl-5,10-dihydro-1H-benzo[g]pteridine-2,4-dione

N-benzylnicotinamide

diphenyldisulfane

benzene