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About This Item
Empirical Formula (Hill Notation):
C3H5N3O
CAS Number:
Molecular Weight:
99.09
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
98%
mp
214 °C (dec.) (lit.)
SMILES string
Nc1cc(O)[nH]n1
InChI
1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H,(H4,4,5,6,7)
InChI key
QZBGOTVBHYKUDS-UHFFFAOYSA-N
Related Categories
General description
Molecular and vibrational structure of 3-amino-5-hydroxypyrazole was investigated by density functional method.
Application
3-Amino-5-hydroxypyrazole was used in the synthesis of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide and heteroaromatic 3-hydroxy-5,6-diphenylpyrazolo[3,4-b]pyridines.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Zun-Ting Zhang et al.
Journal of combinatorial chemistry, 12(4), 600-603 (2010-06-08)
A new concise, facile, and efficient method for the synthesis of 3-hydroxy-5,6-diphenylpyrazolo[3,4-b]pyridine derivatives has been described. The cyclocondensation of isoflavones with 3-amino-5-hydroxypyrazole in the presence of sodium methoxide gave fused heteroaromatic 3-hydroxy-5,6-diphenylpyrazolo[3,4-b]pyridines in moderate to good yields.
J Swaminathan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 71(5), 1776-1782 (2008-09-02)
In this work, we report a combined experimental and theoretical study on molecular and vibrational structure of 3-amino-5-hydroxypyrazole (3A5HP). The Fourier transform infrared and Fourier transform Raman spectra of 3A5HP were recorded in the solid phase. The molecular geometry and
Min Wang et al.
Bioorganic & medicinal chemistry letters, 23(4), 1017-1021 (2013-01-09)
The authentic standard 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide was synthesized from 2,6-difluorobenzoic acid and 3-amino-5-hydroxypyrazole in 9 steps with 1% overall chemical yield. Direct desmethylation of the reference standard with TMSCl/NaI gave the precursor 2,6-difluoro-N-(3-hydroxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide for radiolabeling in 70% yield. The target tracer 2,6-difluoro-N-(3-[(11)C]methoxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide
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