3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione

Base Information

• Chemical Name: 3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione
• CAS No.: 2879-16-5
• Molecular Formula: C₈H₁₀N₄O₃
• Molecular Weight: 210.192
• Hs Code.: 2933990090
• Mol file: 2879-16-5.mol

Synonyms:1H-Purine-2,6-dione,3,7-dihydro-8-(hydroxymethyl)-1,3-dimethyl- (9CI); Theophylline, 8-(hydroxymethyl)-(6CI,7CI,8CI); 8-(Hydroxymethyl)theophylline; NSC 14362; NSC 36522

Chemical Property of 3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 4.16E-12mmHg at 25°C
• Melting Point: 248 °C
• Boiling Point: 531.1°C at 760 mmHg
• PKA: 8.01±0.70(Predicted)
• Flash Point: 275°C
• PSA: 92.91000
• Density: 1.537g/cm³
• LogP: -1.54740

Purity/Quality:

99% ^*data from raw suppliers

8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-1H-purine-2,6-dione

There total 7 articles about 3,7-Dihydro-8-(hydroxymethyl)-1,3-dimethyl-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: 82.0%

glycolic Acid (79-14-1) + 4,5-Diamino-1,3-dimethyluracil (5440-00-6) → 8-hydroxymethyltheophylline (2879-16-5)

Guidance literature:

glycolic Acid; 4,5-Diamino-1,3-dimethyluracil; at 100 ℃; for 3h;

With sodium hydroxide; In water; at 100 ℃; for 2h;

DOI:10.1021/acs.jmedchem.5b00577

Reference yield: 80.0%

methanol (67-56-1) + theophylline (58-55-9,75448-53-2) → 8-(1-hydroxy-1-methyl-ethyl)-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione (61639-78-9) + 8-hydroxymethyltheophylline (2879-16-5)

Guidance literature:

With acetone; at 25 ℃; for 80h; Irradiation;

DOI:10.1007/BF00798809

Reference yield: 3.0%

theophylline (58-55-9,75448-53-2) + acetone (67-64-1) → 8-(1-hydroxy-1-methyl-ethyl)-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione (61639-78-9) + 8-hydroxymethyltheophylline (2879-16-5)

Guidance literature:

With methanol; at 25 ℃; for 80h; Irradiation;

DOI:10.1007/BF00798809

upstream raw materials:

glycolic Acid

4,5-Diamino-1,3-dimethyluracil

methanol

theophylline

Downstream raw materials:

8-(hydroxymethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

8-(3-bromobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrazino[2,1-f]purine-2,4(1H,3H)-dione

8-(4-bromobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrazino[2,1-f]purine-2,4(1H,3H)-dione

8-(3-iodobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrazino[2,1-f]purine-2,4(1H,3H)-dione

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