Ethanone, 1-(1H-pyrazol-3-yl)- (9CI)
- Product Name
- Ethanone, 1-(1H-pyrazol-3-yl)- (9CI)
- CAS No.
- 20583-33-9
- Chemical Name
- Ethanone, 1-(1H-pyrazol-3-yl)- (9CI)
- Synonyms
- 3-Acetylpyrazole;1-(3-Pyrazolyl)ethanone;1-(1H-pyrazol-3-yl)- (9CI);Ethanone, 1-(1H-pyrazol-3-yl)-;1-(1H-Pyrazol-3-yl)ethanone HCL;1-(1H-pyridineazole-3-yl)ethylone;Ethanone, 1-(1H-pyrazol-3-yl)- (9CI)
- CBNumber
- CB81069789
- Molecular Formula
- C5H6N2O
- Formula Weight
- 110.11
- MOL File
- 20583-33-9.mol
Ethanone, 1-(1H-pyrazol-3-yl)- (9CI) Property
- Melting point:
- 100-101 °C(Solv: benzene (71-43-2))
- Boiling point:
- 277.7±13.0 °C(Predicted)
- Density
- 1.190±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.96±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C5H6N2O/c1-4(8)5-2-3-6-7-5/h2-3H,1H3,(H,6,7)
- InChIKey
- BHTZCIGVYSJBQB-UHFFFAOYSA-N
- SMILES
- C(=O)(C1C=CNN=1)C
Safety
- HS Code
- 2933199090
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.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- P847018
- Product name
- 1-(1H-Pyrazol-3-yl)ethanone
- Packaging
- 250mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- CHM0103975
- Product name
- 1-(1H-PYRAZOL-3-YL)ETHANONE
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $852.55
- Updated
- 2021/12/16
- Product number
- CHM0103975
- Product name
- 1-(1H-PYRAZOL-3-YL)ETHANONE
- Purity
- 95.00%
- Packaging
- 2.5G
- Price
- $1227.82
- Updated
- 2021/12/16
- Product number
- CHM0103975
- Product name
- 1-(1H-PYRAZOL-3-YL)ETHANONE
- Purity
- 95.00%
- Packaging
- 5G
- Price
- $1548.26
- Updated
- 2021/12/16
- Product number
- OR941006
- Product name
- 3-Acetylpyrazole
- Purity
- 95%
- Packaging
- 1g
- Price
- $122
- Updated
- 2021/12/16
Ethanone, 1-(1H-pyrazol-3-yl)- (9CI) Chemical Properties,Usage,Production
Uses
Ethanone, 1-(1H-pyrazol-3-yl)- (9CI) can be used in pharmaceutical synthesis.
Synthesis
1423-60-5
18107-18-1
20583-33-9
Example 18, Step A: Trimethylsilylated diazomethane (50 mL, 2 M hexane solution, 300 mmol) was added slowly and dropwise to a solution of but-3-yn-2-one (20.4 g, 300 mmol) in tetrahydrofuran (THF, 250 mL), and the temperature was maintained at 20-30 °C during the reaction using an ice bath (delayed exothermic phenomena were observed). The reaction mixture was stirred continuously for 3 h at room temperature. Upon completion of the reaction, it was quenched by the addition of water (500 mL) and subsequently extracted with ethyl acetate (EtOAc). The organic layers were combined, dried over anhydrous sodium sulfate (Na2SO4), filtered and the filtrate was concentrated under reduced pressure to give the target product 18b (31 g, 94% yield).
References
[1] Patent: WO2012/6760, 2012, A1. Location in patent: Page/Page column 54
Ethanone, 1-(1H-pyrazol-3-yl)- (9CI) Preparation Products And Raw materials
Raw materials
Preparation Products
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