4-Amino-5H-pyrazolo[3,4-d]pyrimidin-6(7H)-one

4-Amino-5H-pyrazolo[3,4-d]pyrimidin-6(7H)-one - Names and Identifiers

Name	4-Amino-6-hydroxypyrazolo[3,4-d]pyrimidine
Synonyms	TIMTEC-BB SBB004064 4-aminopyrazolo(3,4-d)pyrimidin-6-ol 4-Aminopyrazolo[3,4-d]pyrimidine-6-ol 4-Amino-6-hydroxypyrazolo[3,4-d]pyrimidine 4-AMINO-6-hydroxypyrazolo-(3,4-d)pyrimidine 4-Amino-5H-pyrazolo[3,4-d]pyrimidin-6(7H)-one 4-amino-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one 4-Amino-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one
CAS	5472-41-3
EINECS	226-811-1
InChI	InChI=1/C5H5N5O/c6-3-2-1-7-10-4(2)9-5(11)8-3/h1H,(H4,6,7,8,9,10,11)

4-Amino-5H-pyrazolo[3,4-d]pyrimidin-6(7H)-one - Physico-chemical Properties

Molecular Formula	C5H5N5O
Molar Mass	151.13
Density	1.4456 (rough estimate)
Melting Point	320 °C
Boling Point	273.11°C (rough estimate)
Flash Point	166.6°C
Vapor Presure	3.98E-05mmHg at 25°C
Maximum wavelength(λmax)	['250nm(H2O)(lit.)']
BRN	152192
pKa	4.65±0.40(Predicted)
Storage Condition	2-8℃
Refractive Index	1.9000 (estimate)
MDL	MFCD00005689

4-Amino-5H-pyrazolo[3,4-d]pyrimidin-6(7H)-one - Risk and Safety

Hazard Symbols	T - Toxic
Risk Codes	25 - Toxic if swallowed
Safety Description	S24/25 - Avoid contact with skin and eyes. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
UN IDs	UN 2811 6.1 / PGIII
HS Code	29335995

4-Amino-5H-pyrazolo[3,4-d]pyrimidin-6(7H)-one - Introduction

[3,4-d]pyrimidine is an organic compound with the chemical formula C5H4N4O. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: [3,4-d]pyrimidine is a white to pale yellow crystalline or crystalline powder.
-Melting point: The melting point of the compound is about 210-212°C.
-Solubility: Its solubility in water is low, but it is soluble in some organic solvents such as alcohols and ketones.
-Stability: The compound is relatively stable at room temperature, but should avoid prolonged exposure to the sun.

Use:
-Drug research: [3,4-d]pyrimidine is an important intermediate commonly used in the synthesis of a variety of pharmaceutical compounds.
-Pesticide: It can also be used to synthesize certain fungicides and herbicides.

Preparation Method:
The preparation of [3,4-d]pyrimidine can be carried out by the following steps:
1. Add isocyanate in ice-cold sulfuric acid.
2. Under mild conditions, the reaction product of the previous step is reacted with 5-chloro-6-hydroxypyrazole.
3. The reaction product is reacted with sodium aminocyanide using an alkali catalyst.
4. Finally, the target product was purified by crystallization.

Safety Information:
[3,4-d]pyrimidine specific safety information may vary depending on national and regional requirements. Observe the following general safety practices when handling and using:
-Avoid direct contact with skin and eyes. In case of contact, rinse immediately with plenty of water.
-Wear appropriate protective gloves and goggles during operation.
-Use in a well-ventilated place and avoid inhaling its dust or vapor.
-Dispose of waste and residues according to proper disposal methods.

Please note that this information is for informational purposes only. In practical application, further evaluation and appropriate safety measures should be taken according to the specific situation.

Last Update：2024-04-09 21:00:56