1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
• CAS No.: 128694-66-6
• Molecular Formula: C7H7F3N2O2
• Molecular Weight: 208.14
• Hs Code.: 2933199090
• European Community (EC) Number: 675-257-0
• DSSTox Substance ID: DTXSID80426906
• Wikidata: Q82239699
• Mol file: 128694-66-6.mol

Synonyms:128694-66-6;1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid;2-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic Acid;2-Ethyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid;1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(trifluoromethyl)-;SCHEMBL950947;2-Ethyl-5-trifluoromethyl-2 H -pyrazole-3-carboxylic acid;DTXSID80426906;BBL016029;MFCD04970205;STK312631;AKOS000301927;FS-1849;EN300-762618;1-ethyl-3-trifluoromethyl-pyrazol-5-yl carboxylic acid;F2198-0099;Z1269137434;1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylicacid;2-ethyl-5-trifluoromethyl-2 h-pyrazole-3-carboxylic acid;2-ETHYL-5-TRIFLUOROMETHYL-2H-PYRAZOLE-3-CARBOXYLICACID

Chemical Property of 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000594mmHg at 25°C
• Boiling Point: 297.8oC at 760 mmHg
• Flash Point: 133.9oC
• PSA: 55.12000
• Density: 1.48g/cm3
• LogP: 1.62000
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 208.04596196
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

1-Ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

There total 3 articles about 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid 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:

3-(trifluoromethyl)pyrazole (20154-03-4) + carbon dioxide (124-38-9,18923-20-1) + ethyl iodide (75-03-6) → 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (128694-66-6)

Guidance literature:

3-(trifluoromethyl)pyrazole; ethyl iodide; With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20 ℃;

With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.333333h; Cooling with acetone-dry ice; Nitrogen atmosphere;

carbon dioxide; With hydrogenchloride; more than 3 stages;

Reference yield:

1-ethyl-3-(trifluoromethyl)-1H-pyrazole (362640-54-8) + carbon dioxide (124-38-9,18923-20-1) → 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (128694-66-6)

Guidance literature:

1-ethyl-3-(trifluoromethyl)-1H-pyrazole; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃;

carbon dioxide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2005.08.034

Reference yield:

→ 1-ethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (128694-66-6)

Guidance literature:

upstream raw materials:

1-ethyl-3-(trifluoromethyl)-1H-pyrazole

carbon dioxide

3-(trifluoromethyl)pyrazole

ethyl iodide

Refernces

• 1、 -. "Anthranilamide arthropodicide treatment". Page/Page column 30; 31. . Retrieved 2015/11/27.
• 2、 -. "HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME". Page/Page column 543-544. . Retrieved 2008/06/13.