3-Pyridinecarbonyl chloride, 2-[[3-(trifluoromethyl)phenyl]amino]-

Base Information

• Chemical Name: 3-Pyridinecarbonyl chloride, 2-[[3-(trifluoromethyl)phenyl]amino]-
• CAS No.: 70458-49-0
• Molecular Formula: C13H8ClF3N2O
• Molecular Weight: 300.668
• DSSTox Substance ID: DTXSID50473861
• Mol file: 70458-49-0.mol

Synonyms:3-Pyridinecarbonyl chloride, 2-[[3-(trifluoromethyl)phenyl]amino]-;70458-49-0;SCHEMBL4204237;DTXSID50473861;HYNJKBCUZJEDNV-UHFFFAOYSA-N

Chemical Property of 3-Pyridinecarbonyl chloride, 2-[[3-(trifluoromethyl)phenyl]amino]-

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 300.0277251
• Heavy Atom Count: 20
• Complexity: 351

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)Cl)C(F)(F)F

Technology Process of 3-Pyridinecarbonyl chloride, 2-[[3-(trifluoromethyl)phenyl]amino]-

There total 1 articles about 3-Pyridinecarbonyl chloride, 2-[[3-(trifluoromethyl)phenyl]amino]- 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: 79.0%

Niflumic Acid (4394-00-7) → niflumic acid chloride (70458-49-0)

Guidance literature:

With thionyl chloride; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1211/0022357021778321

Reference yield: 59.0%

niflumic acid chloride (70458-49-0) → 2-[3-(trifluoromethyl)anilino]nicotinamide (37102-09-3)

Guidance literature:

With ammonium hydroxide; In ethyl acetate; at 20 ℃; for 4h;

DOI:10.1211/0022357021778321

Reference yield: 38.0%

hydrogen ethyl malonate (1071-46-1) + niflumic acid chloride (70458-49-0) → ethyl 3-oxo-3-(2-{[3-(trifluoromethyl)phenyl]amino}-3-pyridinyl)propanoate (774231-32-2)

Guidance literature:

hydrogen ethyl malonate; niflumic acid chloride; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

With ammonium chloride; In tetrahydrofuran; hexane;

upstream raw materials:

Niflumic Acid

Downstream raw materials:

2-[3-(trifluoromethyl)anilino]nicotinamide

ethyl 3-oxo-3-(2-{[3-(trifluoromethyl)phenyl]amino}-3-pyridinyl)propanoate