1,3-Diethyl-7-methylxanthine

Base Information

• Chemical Name: 1,3-Diethyl-7-methylxanthine
• CAS No.: 31617-39-7
• Molecular Formula: C10H14 N4 O2
• Molecular Weight: 222.247
• Hs Code.: 2933990090
• Mol file: 31617-39-7.mol

Synonyms:1H-Purine-2,6-dione,1,3-diethyl-3,7-dimethyl-7-methyl- (9CI); Heteroxanthine, 1,3-diethyl- (8CI);1,3-Diethyl-7-methylxanthine; NSC 515477

Chemical Property of 1,3-Diethyl-7-methylxanthine

Chemical Property:

• Vapor Pressure: 1.65E-07mmHg at 25°C
• Boiling Point: 427.3°Cat760mmHg
• PKA: 0.48±0.70(Predicted)
• Flash Point: 212.2°C
• PSA: 61.82000
• Density: 1.34g/cm³
• LogP: -0.06350

Purity/Quality:

99%min ^*data from raw suppliers

1,3-DIETHYL-7-METHYLXANTHINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3-Diethyl-7-methylxanthine

There total 2 articles about 1,3-Diethyl-7-methylxanthine 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:

C10H15N4O2(1+)*I(1-) → 1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione (31617-39-7) + 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (58-08-2,138455-22-8,95789-13-2) + 3-ethylparaxanthine (7464-74-6) + 1-ethyltheobromine (39832-36-5)

Guidance literature:

In xylene; at 140 ℃; for 0.75h; Title compound not separated from byproducts;

Reference yield:

C10H15N4O2(1+)*I(1-) → 1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione (31617-39-7) + 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (58-08-2,138455-22-8,95789-13-2) + 3-ethylparaxanthine (7464-74-6) + 1-ethyltheobromine (39832-36-5)

Guidance literature:

In xylene; at 140 ℃; for 0.75h; Title compound not separated from byproducts;

Reference yield: 95.0%

1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione (31617-39-7) + 3,4-dimethoxystyrene (6380-23-0) → istradefylline (155270-99-8,606080-73-3)

Guidance literature:

1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione; With pyridine; palladium diacetate; copper(II) acetate monohydrate; copper(l) chloride; In N,N-dimethyl acetamide; at 20 ℃; for 0.0833333h; Inert atmosphere;

3,4-dimethoxystyrene; In N,N-dimethyl acetamide; at 120 ℃; for 20h; Inert atmosphere;

DOI:10.1039/c2cc17557f

Downstream raw materials:

istradefylline

Refernces