Lotrifen

Base Information

Chemical Name:Lotrifen
CAS No.:66535-86-2
Molecular Formula:C16H10ClN3
Molecular Weight:279.728
Hs Code.:2933990090
European Community (EC) Number:266-394-3
UNII:K6J75G277H
DSSTox Substance ID:DTXSID6073603
Nikkaji Number:J82.337F
Wikipedia:Lotrifen
Wikidata:Q27282016
NCI Thesaurus Code:C66038
ChEMBL ID:CHEMBL94113

Synonyms:2-(4-chlorophenyl)-(1,2,4)triazolo(5,1-a)isoquinoline;Canocenta;L 12717;L-12717;lotrifen

Suppliers and Price of Lotrifen

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
LOTRIFEN 95.00%
5MG
$ 496.35

Total 7 raw suppliers

Chemical Property of Lotrifen

Chemical Property:

Melting Point:238-240°
Refractive Index:1.6010 (estimate)
Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：30.19000
Density:1.36g/cm³
LogP:4.20290
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:279.0563250
Heavy Atom Count:20
Complexity:343

Purity/Quality:

98%Min ^*data from raw suppliers

LOTRIFEN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=CN3C2=NC(=N3)C4=CC=C(C=C4)Cl
Uses Lotrifen is used in the topological virtual screening to find new anticonvulsant drugs from chem. diversity.

Technology Process of Lotrifen

There total 5 articles about Lotrifen 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: 53.0%

: C₁₅H₁₀N₄O₅

: 132401-91-3
3-(4-chlorophenyl)-1,4,2-dioxazol-5-one

: 66535-86-2
2-(4-chloro-phenyl)-[1,2,4]triazolo[5,1-a]isoquinoline

Guidance literature:: With copper diacetate; In 1,2-dichloro-ethane; at 60 ℃; for 12h;
DOI:10.1021/acs.orglett.1c04044

Reference yield:

: 66535-86-2
2-(4-chloro-phenyl)-[1,2,4]triazolo[5,1-a]isoquinoline

Guidance literature:: 2-Amino-1(2H)-isochinolinon, p-Chlorbenzimidsaeure-aethylester;

Reference yield:

: 119-65-3
isoquinoline

: 66535-86-2
2-(4-chloro-phenyl)-[1,2,4]triazolo[5,1-a]isoquinoline

Guidance literature:: Multi-step reaction with 2 steps

1: acetonitrile / 24 h / 20 °C / Sealed tube

2: copper diacetate / 1,2-dichloro-ethane / 12 h / 60 °C

With copper diacetate; In 1,2-dichloro-ethane; acetonitrile;
DOI:10.1021/acs.orglett.1c04044