1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione

Base Information

• Chemical Name: 1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
• CAS No.: 2099-73-2
• Molecular Formula: C7H7 N5 O4
• Molecular Weight: 225.164
• Hs Code.: 29335990
• Mol file: 2099-73-2.mol

Synonyms:1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-nitro- (9CI); Theophylline, 8-nitro- (6CI,7CI,8CI);1,3-Dimethyl-8-nitroxanthine; 8-Nitrotheophylline; NSC 14354; NSC 25248; Teobim

Chemical Property of 1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione

Chemical Property:

• Vapor Pressure: 1.6E-11mmHg at 25°C
• Boiling Point: 535°Cat760mmHg
• PKA: pKa 3.55± 0.05(H2O,t =25,I=0.03) (Uncertain)
• Flash Point: 277.4°C
• PSA: 118.50000
• Density: 1.67g/cm³
• LogP: -0.60830
• Storage Temp.: 2-8°C

Purity/Quality:

NLT 98% ^*data from raw suppliers

1,3-dimethyl-8-nitro-2,3,6,7-tetrahydro-1H-purine-2,6-dione ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione

There total 1 articles about 1,3-Dimethyl-8-nitro-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: 75.0%

theophylline (58-55-9,75448-53-2) → 8-nitrotheophylline (2099-73-2)

Guidance literature:

With nitric acid; acetic anhydride; 1.) 2 h, 2.) 40 deg C, 10 min;

DOI:10.1002/jhet.5570300509

Reference yield: 60.0%

8-nitrotheophylline (2099-73-2) → 7-benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-purine-2,6-dione (155581-78-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃;

Reference yield: 59.0%

8-nitrotheophylline (2099-73-2) → 8-chlorotheophylline (85-18-7)

Guidance literature:

With hydrogenchloride; for 0.5h; Heating;

DOI:10.1002/jhet.5570300509

upstream raw materials:

theophylline

Downstream raw materials:

7-benzyl-1,3-dimethyl-8-nitro-3,7-dihydro-purine-2,6-dione

1,3-dimethyluric acid

8-chlorotheophylline

8-bromotheophylline

Refernces