66535-86-2

Basic information

• Product Name: lotrifen
• Synonyms: lotrifen;2-(4-Chlorophenyl)[1,2,4]triazolo[5,1-a]isoquinoline;Canocenta;DL-7171T;L-12717;Privaprol
• CAS NO: 66535-86-2
• Molecular Formula: C₁₆H₁₀ClN₃
• Molecular Weight: 279.729
• EINECS: 266-394-3
• Mol File: 66535-86-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 238-240°
• Boiling Point: 430.9°C (rough estimate)
• Flash Point: °C
• Appearance: /
• Density: 1.2205 (rough estimate)
• Refractive Index: 1.6010 (estimate)
• CAS DataBase Reference: lotrifen(CAS DataBase Reference)
• NIST Chemistry Reference: lotrifen(66535-86-2)
• EPA Substance Registry System: lotrifen(66535-86-2)

Safety Data

• Hazardous Substances Data: 66535-86-2(Hazardous Substances Data)

Usage

Uses

Lotrifen is used in the topological virtual screening to find new anticonvulsant drugs from chem. diversity.

InChI:InChI=1/C16H10ClN3/c17-13-7-5-12(6-8-13)15-18-16-14-4-2-1-3-11(14)9-10-20(16)19-15/h1-10H

Upstream product

• 122-01-0 4-chloro-benzoyl chloride 
• 1613-88-3 4-chloro-N-hydroxybenzamide 
• 119-65-3 isoquinoline 
• 132401-91-3 3-(4-chlorophenyl)-1,4,2-dioxazol-5-one 

Relevant articles and documents

Cu(II)-Catalyzed C-H Amidation/Cyclization of Azomethine Imines with Dioxazolones via Acyl Nitrenes: A Direct Access to Diverse 1,2,4-Triazole Derivatives

We report a Cu(II)-catalyzed C-H amidation/cyclization of azomethine imines with dioxazolones as acyl nitrene transfer reagents under additive-and ligand-free conditions. An array of 1,2,4-triazolo[1,5-a]pyridine derivatives were afforded in moderate to good yields with excellent functional group tolerance. In addition, scale-up reaction and photoluminescence properties were discussed.

2-Substituted phenyl-5-triazols [5,1-a] isoquinoline compounds

A new process for preparing s-triazolo[5,1-a]-isoquinoline derivatives of the formula STR1 wherein A represents the group --CH2 --CH2 -- or --CH=CH--; R is selected from hydrogen, amino, lower alkylamino, di-lower alkylamino, acylamino, diacylamino, ureido, thioureido, carbethoxythioureido, benzoylthioureido, sulfhydryl, lower alkyl, trifluoromethyl, phenyl, substituted phenyl, pyridyl, methylpyridyl and dimethylpyridyl; and R1 and R2 each independently represents hydrogen or lower alkoxy; by condensation of a 2-amino-3,4-dihydro-1(2H)-isoquinolinone with an imidolyl, cyanamide, cyanic or thiocyanic derivative. New compounds of the formula I wherein A represents the group --CH2 --CH2 -- or --CH=CH--, R has the same meaning as above with the exclusion of hydrogen, methyl, phenyl, and trifluoromethyl, R1 and R2 have the same meaning as above, with the proviso that when A represents the group --CH=CH--, R cannot be tolyl or pyridyl. The new compounds and some of the intermediates of the process are active as antiinflammatories, CNS depressants and anti-fertility agents.