1,3-Dimethyl-7-(trimethylsilyl)-1H-purine-2,6(3H,7H)-dione

Base Information

• Chemical Name: 1,3-Dimethyl-7-(trimethylsilyl)-1H-purine-2,6(3H,7H)-dione
• CAS No.: 62374-32-7
• Molecular Formula: C10H16N4O2Si
• Molecular Weight: 252.348
• Hs Code.: 2933990090
• Mol file: 62374-32-7.mol

Synonyms:7-Trimethylsilyl-theophyllin;Theophylline TMS derivative;1,3-dimethyl-7-trimethylsilanyl-3,7-dihydro-purine-2,6-dione;7-trimethylsilyltheophylline;trimethylsilyltheophylline;7-N-trimethylsilyltheophylline;

Chemical Property of 1,3-Dimethyl-7-(trimethylsilyl)-1H-purine-2,6(3H,7H)-dione

Chemical Property:

• Boiling Point: 402.9±37.0 °C(Predicted)
• PKA: 2.38±0.70(Predicted)
• PSA: 61.82000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 0.11670

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3-Dimethyl-7-(trimethylsilyl)-1H-purine-2,6(3H,7H)-dione

There total 8 articles about 1,3-Dimethyl-7-(trimethylsilyl)-1H-purine-2,6(3H,7H)-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:

theophylline (58-55-9,75448-53-2) + 1,1,1,3,3,3-hexamethyl-disilazane (999-97-3) → 1,3-dimethyl-7-(trimethylsilyl)xanthine (62374-32-7)

Guidance literature:

With ammonium sulfate; for 1h; Heating;

DOI:10.1080/07328319308018553

Reference yield:

2,2-dimethyl-propionic acid 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-ylmethyl ester (64210-71-5) → 1,3-dimethyl-7-(trimethylsilyl)xanthine (62374-32-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent

2: 3.3 g / NEt₃ / benzene / 16 h / Ambient temperature

With triethylamine; In benzene;

DOI:10.1021/jo01297a048

Reference yield:

1-methylxanthine (6136-37-4) → 1,3-dimethyl-7-(trimethylsilyl)xanthine (62374-32-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 41 percent / Na₂CO₃ / dimethylformamide / 17 h

2: 100 percent

3: 68 percent

4: 3.3 g / NEt₃ / benzene / 16 h / Ambient temperature

With sodium carbonate; triethylamine; In N,N-dimethyl-formamide; benzene;

DOI:10.1021/jo01297a048

upstream raw materials:

chloro-trimethyl-silane

theophylline

1,1,1,3,3,3-hexamethyl-disilazane

N,O-Bis(trimethylsilyl)trifluoroacetamide

Downstream raw materials:

7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

7-allyl-1,3-dimethylxanthine

1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydropurine-2,6-dione

7-<2,3-di-O-benzoyl-4-O-(2,3-di-O-benzoyl-4,6-O-benzylidene-β-D-glucopyranosyl)-6-O-triphenylmethyl-β-D-glucopyranosyl>theophylline