4,6-DIHYDROXYPYRAZOLO[3,4-D]PYRIMIDINE

The 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione is an organic compound with the formula C₅H₄N₄O₂. The IUPAC name of this chemical is 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione. With the CAS registry number 2465-59-0, it is also named as Oxypurinol. The product's categories are Pyridines, Pyrimidines, Purines and Pteredines; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides. Besides, it should be stored in a closed cool and dry place.

Physical properties about 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione are: (1)ACD/LogP: -1.20; (2)ACD/LogD (pH 5.5): -1.21; (3)ACD/LogD (pH 7.4): -1.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.2; (7)ACD/KOC (pH 7.4): 2.39; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)Polar Surface Area: 56.22 Å²; (11)Index of Refraction: 1.989; (12)Molar Refractivity: 34.4 cm³; (13)Molar Volume: 69.3 cm³; (14)Polarizability: 13.63×10^-24cm³; (15)Surface Tension: 117.4 dyne/cm; (16)Density: 2.19 g/cm³; (17)Flash Point: 354.7 °C; (18)Enthalpy of Vaporization: 101.04 kJ/mol; (19)Boiling Point: 662.9 °C at 760 mmHg; (20)Vapour Pressure: 3.5E-18 mmHg at 25°C.

Preparation of 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione: this chemical can be prepared by (6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-hydrazine. This reaction is a kind of Oxidation. This reaction will need reagents HCl, H₂O. The reaction time is 60 min by heating. The yield is about 58%.

Uses of 1H-Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione: it can be used to produce 4-thioxo-1,4,5,7-tetrahydro-pyrazolo[3,4-d]pyrimidin-6-one. It will need reagents pyridine, P₂S₅.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C2\C(C(=O)N1)=C/NN2
(2)InChI: InChI=1/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
(3)InChIKey: HXNFUBHNUDHIGC-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
(5)Std. InChIKey: HXNFUBHNUDHIGC-UHFFFAOYSA-N