8-(4-chlorophenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Base Information

• Chemical Name: 8-(4-chlorophenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
• CAS No.: 29064-02-6
• Molecular Formula: C13H11 Cl N4 O2
• Molecular Weight: 290.709
• Mol file: 29064-02-6.mol

Synonyms:1H-Purine-2,6-dione,8-(4-chlorophenyl)-3,7-dihydro-1,3-dimethyl- (9CI); Theophylline, 8-(p-chlorophenyl)-(8CI); 8-(p-Chlorophenyl)theophylline; NSC 282471

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

Chemical Property:

• Vapor Pressure: 1.43E-11mmHg at 25°C
• Boiling Point: 536.2°Cat760mmHg
• Flash Point: 278.1°C
• Density: 1.452g/cm³

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

There total 14 articles about 8-(4-chlorophenyl)-1,3-dimethyl-3,7-dihydro-1H-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: 53.0%

N-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-4-chloro-benzamide (166115-74-8) → 8-(4-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (29064-02-6)

Guidance literature:

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

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

Reference yield: 50.0%

theophylline (58-55-9,75448-53-2) + 1-(4-chlorophenyl)-2-(methylsulfonyl)diazene (56075-36-6) → 8-(4-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (29064-02-6)

Guidance literature:

With hydrogenchloride; In water; acetonitrile; for 24h; Inert atmosphere; Irradiation;

DOI:10.1002/ejoc.201900638

Reference yield: 39.0%

6-(4-Chloro-benzylamino)-1,3-dimethyl-5-nitro-1H-pyrimidine-2,4-dione (90994-73-3) → 8-(4-chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (29064-02-6)

Guidance literature:

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

DOI:10.1039/P19840000583

upstream raw materials:

6-(4-Chloro-benzylamino)-1,3-dimethyl-5-nitro-1H-pyrimidine-2,4-dione

8-(4-Chloro-phenyl)-1,3-dimethyl-6-phenyl-1,9-dihydro-pyrimido[4,5-b][1,4]diazepine-2,4-dione

5-Amino-6-[(E)-1-(4-chloro-phenyl)-3-oxo-3-phenyl-propenylamino]-1,3-dimethyl-1H-pyrimidine-2,4-dione

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

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