3-chloro-1H-pyrazole
- Product Name
- 3-chloro-1H-pyrazole
- CAS No.
- 14339-33-4
- Chemical Name
- 3-chloro-1H-pyrazole
- Synonyms
- EOS-61387;3-Chloroyrazole;3-Chloropyrazole;5-Chloropyrazole;3-chloro-1H-pyrazole;1H-Pyrazole, 3-chloro-
- CBNumber
- CB42593960
- Molecular Formula
- C3H3ClN2
- Formula Weight
- 102.52
- MOL File
- 14339-33-4.mol
3-chloro-1H-pyrazole Property
- Melting point:
- 40 °C
- Boiling point:
- 250.9±13.0 °C(Predicted)
- Density
- 1.405±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder
- pka
- 11.04±0.10(Predicted)
- color
- White
- InChI
- InChI=1S/C3H3ClN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
- InChIKey
- IJPFBRONCJOTTA-UHFFFAOYSA-N
- SMILES
- N1C=CC(Cl)=N1
Safety
- HS Code
- 2933992000
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P312Call a POISON CENTER or doctor/physician if you feel unwell.
N-Bromosuccinimide Price
- Product number
- OR183405
- Product name
- 3-Chloro-1H-pyrazole
- Purity
- 95%
- Packaging
- 1g
- Price
- $56
- Updated
- 2021/12/16
- Product number
- 3H31-5-1H
- Product name
- 3-Chloro-1H-pyrazole
- Purity
- 95%
- Packaging
- 1g
- Price
- $61
- Updated
- 2021/12/16
- Product number
- 7033AA
- Product name
- 3-Chloro-1H-pyrazole
- Packaging
- 250mg
- Price
- $89
- Updated
- 2021/12/16
- Product number
- OR183405
- Product name
- 3-Chloro-1H-pyrazole
- Purity
- 95%
- Packaging
- 5g
- Price
- $182
- Updated
- 2021/12/16
- Product number
- 3H31-5-1H
- Product name
- 3-Chloro-1H-pyrazole
- Purity
- 95%
- Packaging
- 5G
- Price
- $200
- Updated
- 2021/12/16
3-chloro-1H-pyrazole Chemical Properties,Usage,Production
Uses
5-Chloro-1h-pyrazole is used in preparation of aminoquinazolines as P2X3 inhibitors.
Synthesis
1820-80-0
14339-33-4
General procedure for the synthesis of 3-chloro-1H-pyrazole from 3-aminopyrazole: Concentrated hydrochloric acid (20 mL) was slowly added to a solution of acetonitrile (600 mL) containing 1H-pyrazol-3-amine (20.0 g, 241 mmol), followed by the addition of copper(II) chloride (65.0 g, 481 mmol) at 0 °C. The reaction mixture was stirred at 0 °C for 30 min followed by dropwise addition of isoamyl nitrite (56.4 g, 481 mmol). The reaction mixture was continued to be stirred at room temperature for 2 days. After completion of the reaction, the reaction was quenched with 10% aqueous ammonia solution (1 L). The aqueous phase was extracted with ethyl acetate (5 x 500 mL) and the combined organic phases were washed with saturated brine, dried over anhydrous sodium sulfate, filtered and concentrated. The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate=20:1) to afford the target product 3-chloro-1H-pyrazole (10.3 g, 42% yield) as a green oil.1H NMR (400 MHz, CDCl3): δ 12.84 (br s, 1H), 7.62 (s, 1H), 6.29 (s, 1H).
References
[1] Patent: WO2018/85247, 2018, A1. Location in patent: Paragraph 00296; 00297
3-chloro-1H-pyrazole Preparation Products And Raw materials
Raw materials
Preparation Products
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