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

Base Information

• Chemical Name: 5-(3-Bromophenyl)-3-methyl-1,2,4-oxadiazole
• CAS No.: 160377-58-2
• Molecular Formula: C9H7 Br N2 O
• Molecular Weight: 239.06900
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20599340
• Wikidata: Q82495216
• Mol file: 160377-58-2.mol

Synonyms:5-(3-Bromophenyl)-3-methyl-1,2,4-oxadiazole;160377-58-2;1,2,4-Oxadiazole, 5-(3-bromophenyl)-3-methyl-;SCHEMBL138239;DTXSID20599340;CAJCGTZYHFBZAW-UHFFFAOYSA-N;MFCD08435902;AKOS015908536;AS-9245;MB06114;DB-064352;CS-0447561;EN300-79262;5-(3-Bromo-phenyl)-3-methyl-[1,2,4]oxadiazole;F2145-0643

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

Chemical Property:

• Vapor Pressure: 0.000165mmHg at 25°C
• Melting Point: 95oC
• Boiling Point: 340.8oC at 760 mmHg
• Flash Point: 159.9oC
• PSA: 38.92000
• Density: 1.528g/cm3
• LogP: 2.80750
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.97418
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

5-(3-Bromophenyl)-3-methyl-1,2,4-oxadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 5-(3-Bromophenyl)-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:

methyl 3-bromobenzoate (618-89-3) + acetamide oxime (118493-85-9,117771-39-8,1141922-26-0,1429624-21-4) → 5-(3-bromophenyl)-3-methyl-1,2,4-oxadiazole (160377-58-2)

Guidance literature:

acetamide oxime; With sodium hydride; In tetrahydrofuran; at 20 - 50 ℃; for 1h;

methyl 3-bromobenzoate; In tetrahydrofuran; for 1h; Heating / reflux;

Reference yield:

acetylhydroxamic acid (546-88-3) + m-bromobenzoic acid (585-76-2) → 5-(3-bromophenyl)-3-methyl-1,2,4-oxadiazole (160377-58-2)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In ethyl acetate; at 80 ℃; for 3h;

upstream raw materials:

methyl 3-bromobenzoate

acetamide oxime

acetylhydroxamic acid

m-bromobenzoic acid