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1H-Purine-2,6-dione,3,9-dihydro-3,9-dimethyl-

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Name

1H-Purine-2,6-dione,3,9-dihydro-3,9-dimethyl-

EINECS 239-942-4
CAS No. 15837-08-8 Density 1.6g/cm3
PSA 72.68000 LogP -1.03970
Solubility N/A Melting Point ≥300 °C
Formula C7H8N4O2 Boiling Point N/A
Molecular Weight 180.166 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 15837-08-8 (2,6-DIHYDROXY-3,9-DIMETHYLPURINE) Hazard Symbols N/A
Synonyms

2,6-Dihydroxy-3,9-dimethylpurine;3,9-Dimethylxanthine;3,9-Dihydro-3,9-dimethyl-1h-purine-2,6-dione;9-Hydro-7-dehydro-3,9-dimethylxanthine;

Article Data 7

1H-Purine-2,6-dione,3,9-dihydro-3,9-dimethyl- Specification

The 1H-Purine-2,6-dione,3,9-dihydro-3,9-dimethyl-, with the CAS registry number 15837-08-8, is also known as 2,6-Dihydroxy-3,9-dimethylpurine. Its EINECS number is 239-942-4. This chemical's molecular formula is C7H8N4O2 and molecular weight is 180.16. What's more, its systematic name is 3,9-dimethyl-3,9-dihydro-1H-purine-2,6-dione. When you are using this chemical, please be cautious about it. Do not breathe dust. What's more, you should avoid contact with skin and eyes. 

Physical properties of 1H-Purine-2,6-dione,3,9-dihydro-3,9-dimethyl- are: (1)ACD/LogP: -0.72; (2)ACD/LogD (pH 5.5): -0.72; (3)ACD/LogD (pH 7.4): -0.72; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 0; (6)#H bond donors: 1; (7)Polar Surface Area: 58.44.

Preparation: this chemical can be prepared by 5-formylamino-1-methyl-6-methylamino-1H-pyrimidine-2,4-dione by heating. This reaction will need reagent formic acid and solvents formamide, H2O with the reaction time of 30 min. The yield is about 80%.

1H-Purine-2,6-dione,3,9-dihydro-3,9-dimethyl- can be prepared by 5-formylamino-1-methyl-6-methylamino-1H-pyrimidine-2,4-dione by heating

Uses of 1H-Purine-2,6-dione,3,9-dihydro-3,9-dimethyl-: it can be used to produce 8-bromo-3,9-dimethylxanthine at the temperature of 60°C. It will need reagent Br2, AcOH and solvent acetic acid with the reaction time of 1 hour. The yield is about 90%.

1H-Purine-2,6-dione,3,9-dihydro-3,9-dimethyl- can be used to produce 8-bromo-3,9-dimethylxanthine at the temperature of 60°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ncn(c1N(C(=O)N2)C)C
(2)Std. InChI: InChI=1S/C7H8N4O2/c1-10-3-8-4-5(12)9-7(13)11(2)6(4)10/h3H,1-2H3,(H,9,12,13)
(3)Std. InChIKey: HEOWZFHIJSYJIC-UHFFFAOYSA-N

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