Talniflumate

Base Information

• Chemical Name: Talniflumate
• CAS No.: 66898-62-2
• Molecular Formula: C21H13F3N2O4
• Molecular Weight: 414.34
• Hs Code.: 2934999090
• UNII: JFK78S0U9S
• DSSTox Substance ID: DTXSID3046740
• Nikkaji Number: J19.136A
• Wikidata: Q22075910
• NCI Thesaurus Code: C73096
• Metabolomics Workbench ID: 152317
• ChEMBL ID: CHEMBL1081506
• Mol file: 66898-62-2.mol

Synonyms:talniflumate

Chemical Property of Talniflumate

Chemical Property:

• Appearance/Colour: white to pale yellow crystalline powder
• Vapor Pressure: 1.67E-11mmHg at 25°C
• Melting Point: 165-167°C
• Refractive Index: 1.625
• Boiling Point: 534.572 °C at 760 mmHg
• PKA: 2.72±0.10(Predicted)
• Flash Point: 277.099 °C
• PSA: 77.52000
• Density: 1.493 g/cm³
• LogP: 4.94300
• Storage Temp.: Store at +4°C
• Solubility.: Chlorform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 414.08274139
• Heavy Atom Count: 30
• Complexity: 644

Purity/Quality:

99% ^*data from raw suppliers

Talniflumate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F
• Recent EU Clinical Trials: A Phase 2 Multicenter, Randomized, Double-Blind, Placebo-Controlled Study of Talniflumate in Cystic Fibrosis Subjects
• Uses: Talniflumate is a nonaspirin and nonsteroidal anti-inflammatory drug.
• Therapeutic Function: Antiinflammatory, Analgesic

Technology Process of Talniflumate

There total 5 articles about Talniflumate 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: 80.0%

3-Bromophthalide (6940-49-4) + Niflumic Acid (4394-00-7) → talniflumate (66898-62-2)

Guidance literature:

With triethylamine; sodium iodide; In acetone; for 2h; Heating;

Reference yield: 68.5%

→ talniflumate (66898-62-2)

Guidance literature:

Reference yield: 51.7%

3-trifluoromethylaniline (98-16-8) + 2-cloronicotino de ftalidilo (73791-49-8) → talniflumate (66898-62-2)

Guidance literature:

In xylene; 1.) 3 h, reflux, 2.) 0-5 deg C, 1 h.;

upstream raw materials:

3-Bromophthalide

Niflumic Acid

3-trifluoromethylaniline

2-cloronicotino de ftalidilo

Downstream raw materials:

3-oxo-1,3-dihydroisobenzofuran-1-yl 5-chloro-2-((3-(trifluoromethyl)phenyl)amino)nicotinate

Refernces

• 1、 -. "Process for the preparation of alkyl and aryl esters of 3'-substituted and 2', 3'-disubstituted 2-anilino-3-pyridinecarboxylic acids". . . Retrieved 2008/06/13.