5-(4-Chlorophenyl)-3-methyl-1,2,4-oxadiazole

Base Information

• Chemical Name: 5-(4-Chlorophenyl)-3-methyl-1,2,4-oxadiazole
• CAS No.: 89804-65-9
• Molecular Formula: C9H7ClN2O
• Molecular Weight: 194.62
• DSSTox Substance ID: DTXSID50523936
• Wikidata: Q82390390

Synonyms:5-(4-Chlorophenyl)-3-methyl-1,2,4-oxadiazole;89804-65-9;SCHEMBL12297019;DTXSID50523936;BS-23936

Chemical Property of 5-(4-Chlorophenyl)-3-methyl-1,2,4-oxadiazole

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NOC(=N1)C2=CC=C(C=C2)Cl

Technology Process of 5-(4-Chlorophenyl)-3-methyl-1,2,4-oxadiazole

There total 5 articles about 5-(4-Chlorophenyl)-3-methyl-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: 96.0%

N-thioacetyl-4-chlorobenzamide (2905-48-8) → 3-methyl-5-(4-chlorophenyl)-1,2,4-oxadiazole (89804-65-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In 1,4-dioxane; acetic acid;

Reference yield: 65.4%

4-chloro-benzoyl chloride (122-01-0) + acetamide oxime (118493-85-9,117771-39-8,1141922-26-0,1429624-21-4) → 3-methyl-5-(4-chlorophenyl)-1,2,4-oxadiazole (89804-65-9)

Guidance literature:

In pyridine; for 0.5h;

Reference yield:

5-(4-chloro-phenyl)-3-methyl-[1,2,4]oxadiazole 4-oxide (59562-64-0) → 3-methyl-5-(4-chlorophenyl)-1,2,4-oxadiazole (89804-65-9)

Guidance literature:

With phosphorous acid trimethyl ester; In benzene; for 2h; Yield given; Heating;

DOI:10.1016/S0040-4020(96)01088-5

upstream raw materials:

N-thioacetyl-4-chlorobenzamide

4-chloro-benzoyl chloride

acetamide oxime

5-(4-chloro-phenyl)-3-methyl-[1,2,4]oxadiazole 4-oxide

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