ChemicalBook > CAS DataBase List > 1-(1-methyl-1H-pyrazol-5-yl)ethanone

1-(1-methyl-1H-pyrazol-5-yl)ethanone

Product Name: 1-(1-methyl-1H-pyrazol-5-yl)ethanone
CAS No.: 137890-05-2
Chemical Name: 1-(1-methyl-1H-pyrazol-5-yl)ethanone
Synonyms: 5-Acetyl-1-methylpyrazole;4-Bromo-2,38-diaminopyridine;1-(1-Methyl-1H-pyrazol-5-yl);1-(2-methylpyrazol-3-yl)ethanone;1-(1-Methyl-1H-pyrazol-5-yl)ethanone;Ethanone, 1-(1-methyl-1H-pyrazol-5-yl)-;Ethanone, 1-(1-methyl-1H-pyrazol-5-yl)- (9CI)
CBNumber: CB41059298
Molecular Formula: C6H8N2O
Formula Weight: 124.14
MOL File: 137890-05-2.mol

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1-(1-methyl-1H-pyrazol-5-yl)ethanone Property

storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C6H8N2O/c1-5(9)6-3-4-7-8(6)2/h3-4H,1-2H3
InChIKey: UXNMMULCZUAIHE-UHFFFAOYSA-N
SMILES: C(=O)(C1N(C)N=CC=1)C

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Safety

HS Code: 2933199090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H227Combustible liquid

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P370+P378In case of fire: Use … for extinction.

P403+P235Store in a well-ventilated place. Keep cool.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: M324398
Product name: 1-(1-methyl-1H-pyrazol-5-yl)ethanone
Packaging: 100mg
Price: $65
Updated: 2021/12/16

Apolloscientific

Product number: OR965394
Product name: 1-(1-Methyl-1H-pyrazol-5-yl)ethanone
Purity: 95%
Packaging: 250mg
Price: $150
Updated: 2021/12/16

Matrix Scientific

Product number: 030935
Product name: 1-(1-Methyl-1H-pyrazol-5-yl)ethanone
Packaging: 1g
Price: $174
Updated: 2021/12/16

AK Scientific

Product number: Y5278
Product name: 1-(1-Methyl-1H-pyrazol-5-yl)ethanone
Packaging: 1g
Price: $222
Updated: 2021/12/16

Apolloscientific

Product number: OR965394
Product name: 1-(1-Methyl-1H-pyrazol-5-yl)ethanone
Purity: 95%
Packaging: 1g
Price: $370
Updated: 2021/12/16

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1-(1-methyl-1H-pyrazol-5-yl)ethanone Chemical Properties,Usage,Production

Synthesis

20583-33-9

74-88-4

137890-04-1

137890-05-2

The general procedure for the synthesis of 3-acetyl-1-methyl-1H-pyrazole and 1-methyl-5-acetyl-pyrazole from 3-acetylpyrazole and iodomethane was as follows: to a stirred solution of 1-(1H-pyrazol-5-yl)acetophenone (8.24 g, 74.8 mmol) and potassium carbonate (20.58 g, 149 mmol) in acetonitrile (50 mL) was added iodomethane ( 4.68 mL, 74.8 mmol). The reaction mixture was stirred at room temperature for 3 days. Upon completion of the reaction, water was added to the mixture and extracted with ethyl acetate. The organic layers were combined, washed with brine, dried over magnesium sulfate, filtered and concentrated in vacuum. The crude product was purified by silica gel column chromatography (5:1 to 2:1 linear gradient of hexane/ethyl acetate) to afford 1-(1-methyl-1H-pyrazol-5-yl)ethanone (1.20 g, 9.67 mmol, 13% yield, less polar fraction, eluted first) and 1-(1-methyl-1H-pyrazol-3-yl)ethanone (5.40 g, 43.5 mmol , 58% yield, more polar fraction, eluted subsequently).NMR hydrogen spectral (500 MHz, CDCl3) data for 1-(1-methyl-1H-pyrazol-5-yl)ethanone: δ 7.47 (d, J=2.0 Hz, 1H), 6.83 (d, J=2.1 Hz, 1H), 4.17 (s, 3H), 2.52 (s, 3H). Mass spectrum (M+H)+: 125.2. NMR hydrogen spectrum (500 MHz, CDCl3) data of 1-(1-methyl-1H-pyrazol-3-yl)ethanone: δ 7.38 (d, J=2.3Hz, 1H), 6.78 (d, J=2.4Hz, 1H), 3.98 (s, 3H), 2.57 (s, 3H). Mass spectrum (M+H)+: 125.2.

References

[1] Patent: WO2014/98831, 2014, A1. Location in patent: Page/Page column 72

1-(1-methyl-1H-pyrazol-5-yl)ethanone Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 1-(1-methyl-1H-pyrazol-5-yl)ethanone manufacturers

Career Henan Chemical Co

Product: Ethanone, 1-(1-methyl-1H-pyrazol-5-yl)- (9CI) 137890-05-2
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 200kg
Release date: 2020-01-08

137890-05-2, 1-(1-methyl-1H-pyrazol-5-yl)ethanoneRelated Search:

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1-(1-Methyl-1H-pyrazol-5-yl)ethanone

4-Bromo-2,38-diaminopyridine

1-(2-methylpyrazol-3-yl)ethanone

137890-05-2

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