Loreclezole

Base Information

• Chemical Name: Loreclezole
• CAS No.: 117857-45-1
• Molecular Formula: C10H6 Cl3 N3
• Molecular Weight: 274.537
• Hs Code.: 2933990090
• UNII: 6DJ32STZ5W
• DSSTox Substance ID: DTXSID6048252
• Nikkaji Number: J340.941D
• Wikipedia: Loreclezole
• Wikidata: Q6680282
• NCI Thesaurus Code: C66036
• Pharos Ligand ID: T482YQZN3T6U
• ChEMBL ID: CHEMBL1397886
• Mol file: 117857-45-1.mol

Synonyms:(Z)-1-(2-chloro-2-(2,4-dichlorophenyl)ethenyl)-1H-1,2,4-triazole;loreclezole

Chemical Property of Loreclezole

Chemical Property:

• Vapor Pressure: 3.23E-07mmHg at 25°C
• Boiling Point: 418.7°Cat760mmHg
• Flash Point: 207°C
• PSA: 30.71000
• Density: 1.48g/cm³
• LogP: 3.77930
• Storage Temp.: Desiccate at -20°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 272.962730
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

98%min ^*data from raw suppliers

LoreclezoleHydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(=CN2C=NC=N2)Cl
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)/C(=C/N2C=NC=N2)/Cl
• Uses: Anti-epileptic.

Technology Process of Loreclezole

There total 2 articles about Loreclezole 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: 28.0%

1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone (58905-16-1) → loreclezole (117857-45-1)

Guidance literature:

With phosphorus pentachloride; In 1,2-dichloro-ethane; for 1.33333h;

Reference yield:

2,2',4'-trichloroacetophenone (4252-78-2) → loreclezole (117857-45-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / toluene / 3 h / 100 °C

2: phosphorus pentachloride / 1,2-dichloro-ethane / 1.33 h / Reflux

With phosphorus pentachloride; sodium hydrogencarbonate; In 1,2-dichloro-ethane; toluene;

upstream raw materials:

1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

2,2',4'-trichloroacetophenone

Refernces

• 1、 -. "Insecticide composition containing (1-hallovinyl)benzene compounds". Paragraph 0064-0065; 0069-0071. . Retrieved 2018/07/04.