5-Amino-3,7-dimethylxanthine

Base Information

• Chemical Name: 5-Amino-3,7-dimethylxanthine
• CAS No.: 81281-47-2
• Molecular Formula: C7H9N5O2
• Molecular Weight: 195.181
• Mol file: 81281-47-2.mol

Synonyms:1-Amino-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione;

Chemical Property of 5-Amino-3,7-dimethylxanthine

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 2.85E-09mmHg at 25°C
• Refractive Index: 1.772
• Boiling Point: 477.2 °C at 760 mmHg
• Flash Point: 242.4 °C
• PSA: 91.03000
• Density: 1.69 g/cm³
• LogP: -0.93930
• Solubility.: DMSO, Water

Purity/Quality:

98%min ^*data from raw suppliers

5-Amino-3,7-dimethylxanthine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediate for the synthesis of Theobromine

Technology Process of 5-Amino-3,7-dimethylxanthine

There total 2 articles about 5-Amino-3,7-dimethylxanthine 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: 40.0%

3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (58-08-2,138455-22-8,95789-13-2) → 1-amino-3,7-dimethylxanthine (81281-47-2)

Guidance literature:

With hydrazine hydrate; for 5h; Mechanism; Heating; other xanthine derivatives;

Reference yield:

theobromine / (83-67-0) → 1-amino-3,7-dimethylxanthine (81281-47-2)

Guidance literature:

With O-(diphenylphosphinyl)hydroxylamine; sodium; Yield given. Multistep reaction; 1.) Methanol, 2.) DMF, 20 deg C, 6 h;

Reference yield: 96.0%

1-amino-3,7-dimethylxanthine (81281-47-2) → theobromine / (83-67-0)

Guidance literature:

With sodium nitrite; In acetic acid;

upstream raw materials:

theobromine /

3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Downstream raw materials:

theobromine /

Refernces

• 1、 Ueda, Taisei,Oda, Noriichi,Sakakibara, Jinsaku,Takeya, Kazumi. "A FACILE CONVERSION OF THE 1-METHYL GROUP TO THE 1-AMINO GROUP OF XANTHINE DERIVATIVES". . p. 2291 - 2294. Retrieved 2007/10/02.