8-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethyl -7H-purine-2,6-dione

Base Information

• Chemical Name: 8-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethyl -7H-purine-2,6-dione
• CAS No.: 3001-44-3
• Molecular Formula: C₁₂H₁₆N₄O₆
• Molecular Weight: 312.282
• Mol file: 3001-44-3.mol

Synonyms:Theophylline,7-b-D-ribofuranosyl- (8CI); 7-b-D-Ribofuranosyltheophylline; DMX7R

Chemical Property of 8-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethyl -7H-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 2.99E-22mmHg at 25°C
• Boiling Point: 728.1°Cat760mmHg
• Flash Point: 394.1°C
• PSA: 131.74000
• Density: 1.643g/cm³
• LogP: -2.95480

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 8-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethyl -7H-purine-2,6-dione

There total 16 articles about 8-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-dimethyl -7H-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: 95.0%

7-(2',3',4'-tri-O-acetyl-β-D-ribofuranosyl)theophylline (30725-02-1) → 1,3-dimethyl-7-β-D-ribofuranosyl-3,7-dihydro-purine-2,6-dione (3001-44-3,156733-30-1)

Guidance literature:

With sodium; In methanol; at 20 ℃;

DOI:10.1002/ejoc.200300377

Reference yield: 81.8%

N2-acetyl-2',3',5'-tri-O-benzoyl-β-D-guanosine (23393-73-9) → 1,3-dimethyl-7-β-D-ribofuranosyl-3,7-dihydro-purine-2,6-dione (3001-44-3,156733-30-1)

Guidance literature:

With ammonia; In methanol; at 24 ℃; for 18h;

Reference yield: 35.0%

diethoxymethyl acetate (14036-06-7) + 6-Amino-1,3-dimethyl-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxy-pent-(Z)-ylideneamino]-1H-pyrimidine-2,4-dione (88154-61-4) → 1,3-dimethyl-7-β-D-ribofuranosyl-3,7-dihydro-purine-2,6-dione (3001-44-3,156733-30-1)

Guidance literature:

diethoxymethyl acetate; 6-Amino-1,3-dimethyl-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxy-pent-(Z)-ylideneamino]-1H-pyrimidine-2,4-dione; at 20 ℃; for 48h;

With sodium methylate; In methanol; at 20 ℃;

With acetic acid; In water; for 24h;

DOI:10.1002/ejoc.200300377

upstream raw materials:

7-(2',3',4'-tri-O-acetyl-β-D-ribofuranosyl)theophylline

N²-acetyl-2',3',5'-tri-O-benzoyl-β-D-guanosine

diethoxymethyl acetate

6-Amino-1,3-dimethyl-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxy-pent-(Z)-ylideneamino]-1H-pyrimidine-2,4-dione

Downstream raw materials:

7-[O²,O³-isopropylidene-O⁵-(toluene-4-sulfonyl)-β-D-ribofuranosyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione