3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylic acid
• CAS No.: 1039053-05-8
• Molecular Formula: C₁₀H₆F₂N₂O₂
• Molecular Weight: 224.167
• DSSTox Substance ID: DTXSID50408673
• Mol file: 1039053-05-8.mol

Synonyms:3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylic acid;1039053-05-8;F2130-0110;DTXSID50408673;AKOS002657133;AKOS013918256;EN300-238394;3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylicacid

Chemical Property of 3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 224.03973376
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

3-(2,4-Difluorophenyl)-1H-pyrazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)C2=NNC(=C2)C(=O)O

Technology Process of 3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylic acid

There total 1 articles about 3-(2,4-difluorophenyl)-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:

C11H8F2N2O2 (1119299-71-6) → C10H6F2N2O2 (1039053-05-8)

Guidance literature:

With lithium hydroxide; water; In tetrahydrofuran; methanol; Reflux;

DOI:10.1016/j.bmcl.2008.10.107

Reference yield:

C10H6F2N2O2 (1039053-05-8) + ethanolamine (141-43-5) → C12H11F2N3O2 (1119300-24-1)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2008.10.107

upstream raw materials:

C₁₁H₈F₂N₂O₂

Downstream raw materials:

C₁₂H₁₁F₂N₃O₂

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