5-CHLORO-1H-PYRAZOLO[3,4-C]PYRIDINE
- CAS NO.:76006-08-1
- Empirical Formula: C6H4ClN3
- Molecular Weight: 153.57
- MDL number: MFCD05663983
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-03-13 11:54:02
What is 5-CHLORO-1H-PYRAZOLO[3,4-C]PYRIDINE?
The Uses of 5-CHLORO-1H-PYRAZOLO[3,4-C]PYRIDINE
5-Chloro-1H-pyrazolo[3,4-C]pyridine is a pyrazolo aromatic heterocyclic compound and an important organic synthesis intermediate. And it is widely used in the preparation of medicines, pesticides and other compounds.
Synthesis
2-Chloro-5-fluoro-4-aldolpyridine (0.49 mol, 75.0 g), methoxyamine hydrochloride (0.51 mol, 42.6 g) and potassium carbonate (0.59 mol, 81.5 g) were combined at room temperature were respectively added to the reactor containing 1L of tetrahydrofuran solution. After stirring overnight at room temperature, it was filtered and the filtrate was concentrated to give a residue. 85 wt% aqueous hydrazine hydrate solution (1.47 mol) was added dropwise to the residue, and the residue was refluxed overnight, and the progress of the reaction was monitored by LC-MS until the reaction was completed. After evaporating off excess hydrazine, 1 L of water was added to the mixture, and after a precipitate was deposited, it was filtered, washed with water and dried to obtain a gray powder. The gray powder was dissolved in tetrahydrofuran, 10 mL of trifluoroacetic acid was added to reflux for 1 hour, the reaction mixture was concentrated, washed three times with water and tert-butyl methyl ether to obtain a light gray powder of pyrazoloheterocyclic compound (5-Chloro-1H-pyrazolo[3,4-c]pyridine) powder, yield 86%, and purity ≥95%. 1H-NMR (CD3OD-d4, 400MHz) δ: 7.82 (s, 1H), 8.15 (s, 1H), 8.80 (s, 1H).
Properties of 5-CHLORO-1H-PYRAZOLO[3,4-C]PYRIDINE
Melting point: | 184-185 °C |
Boiling point: | 357.5±22.0 °C(Predicted) |
Density | 1.531±0.06 g/cm3(Predicted) |
storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
pka | 9.74±0.40(Predicted) |
Safety information for 5-CHLORO-1H-PYRAZOLO[3,4-C]PYRIDINE
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P330:Rinse mouth. P362:Take off contaminated clothing and wash before reuse. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
Computed Descriptors for 5-CHLORO-1H-PYRAZOLO[3,4-C]PYRIDINE
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