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

Base Information

• Chemical Name: 1-(1-ethyl-1H-pyrazol-5-yl)ethanone
• CAS No.: 946655-79-4
• Molecular Formula: C₇H₁₀N₂O
• Molecular Weight: 138.169
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00426887
• Wikidata: Q82239680
• Mol file: 946655-79-4.mol

Synonyms:1-(1-ethyl-1H-pyrazol-5-yl)ethanone;946655-79-4;1-(2-ethylpyrazol-3-yl)ethanone;1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-one;1-(2-Ethyl-2H-pyrazol-3-yl)-ethanone;SCHEMBL336115;DTXSID00426887;MFCD04967383;STK313156;AKOS000306282;LS-03925;CS-0240565;FT-0683609;EN300-229075;A902864

Chemical Property of 1-(1-ethyl-1H-pyrazol-5-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.051mmHg at 25°C
• Boiling Point: 235.1°C at 760 mmHg
• Flash Point: 96°C
• PSA: 34.89000
• Density: 1.08g/cm³
• LogP: 1.10560
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.079312947
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

1-(1-ethyl-1H-pyrazol-5-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=CC=N1)C(=O)C

Technology Process of 1-(1-ethyl-1H-pyrazol-5-yl)ethanone

There total 3 articles about 1-(1-ethyl-1H-pyrazol-5-yl)ethanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-ethyl-1H-pyrazole-5-carboxylic acid (400755-43-3) → 1-(1-ethyl-1H-pyrazol-5-yl)ethanone (946655-79-4)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / tetrachloromethane; N,N-dimethyl-formamide / 2 h / Reflux

2: diethyl ether; ethanol / 20 °C

3: hydrogenchloride / water / Reflux

With hydrogenchloride; thionyl chloride; In tetrachloromethane; diethyl ether; ethanol; water; N,N-dimethyl-formamide;

DOI:10.1002/jhet.869

Reference yield:

C6H7ClN2O (1006471-20-0) → 1-(1-ethyl-1H-pyrazol-5-yl)ethanone (946655-79-4)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether; ethanol / 20 °C

2: hydrogenchloride / water / Reflux

With hydrogenchloride; In diethyl ether; ethanol; water;

DOI:10.1002/jhet.869

Reference yield:

C13H18N2O5 → 1-(1-ethyl-1H-pyrazol-5-yl)ethanone (946655-79-4)

Guidance literature:

With hydrogenchloride; In water; Reflux;

DOI:10.1002/jhet.869

upstream raw materials:

1-ethyl-1H-pyrazole-5-carboxylic acid

C₆H₇ClN₂O

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