5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile
- Product Name
- 5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile
- CAS No.
- 106368-32-5
- Chemical Name
- 5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile
- Synonyms
- 5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile;1H-Pyrazole-4-carbonitrile, 5-amino-1-[4-(methylsulfonyl)phenyl]-
- CBNumber
- CB61114810
- Molecular Formula
- C11H10N4O2S
- Formula Weight
- 262.29
- MOL File
- Mol file
5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile Property
- Melting point:
- 234-236 °C(Solv: methanol (67-56-1))
- Boiling point:
- 553.3±50.0 °C(Predicted)
- Density
- 1.44±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -1.67±0.10(Predicted)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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
- A138479
- Product name
- 5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile
- Purity
- 98%
- Packaging
- 100mg
- Price
- $128
- Updated
- 2021/12/16
- Product number
- A138479
- Product name
- 5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile
- Purity
- 98%
- Packaging
- 250mg
- Price
- $175
- Updated
- 2021/12/16
- Product number
- 106368325
- Product name
- 5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile
- Packaging
- 250mg
- Price
- $177.48
- Updated
- 2021/12/16
- Product number
- A138479
- Product name
- 5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile
- Purity
- 98%
- Packaging
- 1g
- Price
- $389
- Updated
- 2021/12/16
- Product number
- CM187718
- Product name
- 5-amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile
- Purity
- 98%
- Packaging
- 1g
- Price
- $407
- Updated
- 2021/12/16
5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile Chemical Properties,Usage,Production
Synthesis
123-06-8
106368-32-5
General procedure for the synthesis of 5-amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile from ethoxymethylenemalonononitrile: 4-(methylsulfonyl)phenylhydrazine hydrochloride (2 g, 9 mmol) and sodium methanol (0.49 g, 9 mmol) were added to a 100 mL round-bottomed flask equipped with a reflux condenser and an N2 inlet septum. Methanol (20 mL) was added to the reaction flask under nitrogen protection and stirred at room temperature for 15-20 min until the purple color disappeared and a white precipitate formed. Subsequently, ethoxymethylene malononitrile (1.1 g, 9 mmol) was added and stirring was continued for 10 min at room temperature, followed by heating and refluxing for 150 min. After completion of the reaction, the reaction mixture was cooled, filtered and concentrated under reduced pressure to give the crude product. The solid residue was dissolved in a mixed solvent of ethyl acetate (EtOAc) and water, and the organic layer was separated, washed with saturated aqueous sodium chloride (NaCl), dried over anhydrous sodium sulfate (Na2SO4), and concentrated to give the second part of the crude product. The crude product was purified by fast chromatography (eluent: 10% methanol/dichloromethane) and recrystallized from methanol to give a yellow crystalline product (625 mg, 26% yield). The structure of the product was confirmed by 1H NMR (DMSO-D6, 400 MHz): δ 3.27 (s, 3H), 6.98 (s, 2H), 7.81 (d, 2H), 7.88 (s, 1H), 8.06 (s, 2H).The LCMS analysis: the calculated value of C11H10N4O2S was 262.05 and the measured value was 262.9 (MH+).
References
[1] Patent: WO2005/7658, 2005, A2. Location in patent: Page 191
5-Amino-1-(4-(methylsulfonyl)phenyl)-1H-pyrazole-4-carbonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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