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

Base Information

• Chemical Name: 3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole
• CAS No.: 118183-92-9
• Molecular Formula: C9H7BrN2O
• Molecular Weight: 239.071
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50356408
• Wikidata: Q72511018
• Mol file: 118183-92-9.mol

Synonyms:3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole;118183-92-9;MFCD00487341;4-(5-Methyl-1,2,4-oxadiazol-3-yl)bromobenzene;SCHEMBL1170085;DTXSID50356408;YWBIOYGLRGIJRT-UHFFFAOYSA-N;AKOS015835650;SY025145;CS-0035520;FT-0711744;EN300-79237;3-(4-bromophenyl)-5-methyl-1,2,4oxadiazole;3-(4-bromo-phenyl)-5-methyl-[1,2,4]oxadiazole;A893199;1-bromo-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzene;3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole, AldrichCPR

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

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 0.000375mmHg at 25°C
• Melting Point: 98 ºC
• Refractive Index: 1.577
• Boiling Point: 327.9 ºC at 760 mmHg
• PKA: -0.50±0.25(Predicted)
• Flash Point: 152.1 ºC
• PSA: 38.92000
• Density: 1.528 g/cm³
• LogP: 2.80750
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.97418
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NO1)C2=CC=C(C=C2)Br

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

There total 11 articles about 3-(4-Bromophenyl)-5-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: 85.0%

N,N-dimethylacetamide dimethyl acetal (18871-66-4) + p-bromobenzamidoxime (19227-14-6,69113-23-1) → 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole (118183-92-9)

Guidance literature:

In 1,4-dioxane; for 12h; Reflux;

Reference yield: 45.0%

(Z)-4-bromo-N′-hydroxybenzimidamide (19227-14-6,69113-23-1) → 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole (118183-92-9) + 3,5-bis(4-bromophenyl)-1,2,4-oxadiazole (91960-89-3)

Guidance literature:

In acetic acid; for 3.5h; Heating;

Reference yield: 41.0%

(Z)-4-bromo-N′-hydroxybenzimidamide (19227-14-6,69113-23-1) + acetic anhydride (108-24-7) → 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole (118183-92-9)

Guidance literature:

In 1,2-dichloro-ethane; at 20 - 75 ℃; for 16h;

upstream raw materials:

p-bromobenzamidoxime

acetic anhydride

(Z)-4-bromo-N′-hydroxybenzimidamide

C₉H₉BrN₂O₂

Downstream raw materials:

4-[4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biphenyl-4-carbaldehyde