5-(Chloromethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole

Base Information

• Chemical Name: 5-(Chloromethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole
• CAS No.: 435303-34-7
• Molecular Formula: C10H6 Cl F3 N2 O
• Molecular Weight: 262.619
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40585462
• Wikidata: Q82477436
• Mol file: 435303-34-7.mol

Synonyms:435303-34-7;5-(chloromethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole;5-(chloromethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;5-Chloromethyl-3-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazole;5-chloromethyl-3-(4-(trifluoromethyl)phenyl)-[1,2,4]oxadiazole;MFCD02180686;5-Chloromethyl-3-(4-trifluoromethylphenyl)[1,2,4]oxadiazole;SCHEMBL2356588;DTXSID40585462;AKOS005601776;AB11447;AS-37272;SY167895;EN300-27327;A13419;Z238918778;5-chloromethyl-3-(4-trifluoromethylphenyl)-[1,2,4]oxadiazole;5-Chloromethyl-3-(4-(trifluoromethyl)-phenyl)-[1,2,4]oxadiazole

Chemical Property of 5-(Chloromethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 314.5°Cat760mmHg
• Flash Point: 144°C
• PSA: 38.92000
• Density: 1.418g/cm³
• LogP: 3.49420
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 262.0120750
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloromethyl-3-(4-(trifluoromethyl)-phenyl)-[1,2,4]oxadiazole 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NOC(=N2)CCl)C(F)(F)F

Technology Process of 5-(Chloromethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole

There total 8 articles about 5-(Chloromethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole 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: 95.1%

C10H8ClF3N2O2 (1401223-68-4,844498-78-8) → 5-(chloromethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole (435303-34-7)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 5h; Reflux;

DOI:10.1021/jf803632t

Reference yield: 95.0%

4-(trifluoromethyl)benzamidoxime (22179-86-8) + chloroacetyl chloride (79-04-9) → 5-(chloromethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole (435303-34-7)

Guidance literature:

With triethylamine; In benzene; for 10h; Reflux;

DOI:10.1016/j.ejmech.2011.12.028

Reference yield: 91.0%

(Z)-N'-(2-chloroacetoxy)-4-(trifluoromethyl)benzimidamide (844498-78-8) → 5-(chloromethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole (435303-34-7)

Guidance literature:

In toluene; for 2h; Reflux; Molecular sieve;

DOI:10.1021/jm400221d

upstream raw materials:

(Z)-N'-(2-chloroacetoxy)-4-(trifluoromethyl)benzimidamide

chloroacetyl chloride

(Z)-N'-hydroxy-4-(trifluoromethyl)benzimidamide

4-CF₃C₆H₄CN

Downstream raw materials:

C₁₈H₁₀F₃N₃O₃

5-(azidomethyl)-3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazole

Refernces

• 1、 Sa??rl?, Ak?n,Dürüst, Ya?ar. "Reactions of 3-(p-substituted-phenyl)-5-chloromethyl-1,2,4-oxadiazoles with KCN leading to acetonitriles and alkanes via a non-reductive decyanation pathway". . p. 3011 - 3017. Retrieved 2019/01/05.
• 2、 Venugopala, Katharigatta N.. "Design, microwave assisted synthesis and characterization of substituted 1,2,4-oxadiazole analogues as promising pharmacological agents". . p. 1767 - 1770. Retrieved 2017/06/27.