8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Base Information

• Chemical Name: 8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
• CAS No.: 967-42-0
• Molecular Formula: C14H14N4O3
• Molecular Weight: 286.29
• DSSTox Substance ID: DTXSID40435433
• Nikkaji Number: J456.751J
• ChEMBL ID: CHEMBL11635

Synonyms:Oprea1_138281;CHEMBL11635;967-42-0;SCHEMBL515769;8-(4-Methoxyphenyl)theophylline;DTXSID40435433;HMS3538N19;8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione;BDBM50020965;PDSP1_000982;PDSP2_000966;CCG-201585;1,3-Dimethyl-8-(4-methoxyphenyl)xanthine;8-(4-methoxyphenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

Chemical Property of 8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 286.10659032
• Heavy Atom Count: 21
• Complexity: 436

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)OC

Technology Process of 8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

There total 14 articles about 8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 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%

orthoformic acid triethyl ester (122-51-0) + 6-amino-5-(4-methoxy-benzylideneamino)-1,3-dimethyl-1H-pyrimidine-2,4-dione (60333-34-8) → 1,3-dimethyl-2,4-dioxo-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropteridine (61999-40-4) + 1,3-dimethyl-8-(4-methoxyphenyl)-9(H)-xanthine (967-42-0)

Guidance literature:

In N,N-dimethyl-formamide; for 10h; Heating;

DOI:10.1002/ardp.200600149

Reference yield: 47.0%

6-(4-Methoxy-benzylamino)-1,3-dimethyl-5-nitro-1H-pyrimidine-2,4-dione (90994-72-2) → 8-(4-methoxyphenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (967-42-0)

Guidance literature:

In N,N-dimethyl-formamide; for 24h; Heating;

DOI:10.1039/P19840000583

Reference yield: 30.0%

N-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-4-methoxy-benzamide (166115-69-1) → 8-(4-methoxyphenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (967-42-0)

Guidance literature:

With aluminium trichloride; phosphorus pentoxide; In pyridine; for 4h; Heating;

DOI:10.1016/0223-5234(96)88233-X

upstream raw materials:

orthoformic acid triethyl ester

6-amino-5-(4-methoxy-benzylideneamino)-1,3-dimethyl-1H-pyrimidine-2,4-dione

5,6-diamino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione hydrochloride

4-methoxy-benzaldehyde

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