3-(4-Bromo-3-methylphenyl)-5-methyl-1,2,4-oxadiazole

Base Information

Chemical Name:3-(4-Bromo-3-methylphenyl)-5-methyl-1,2,4-oxadiazole
CAS No.:148672-39-3
Molecular Formula:C10H9 Br N2 O
Molecular Weight:253.1
Hs Code.:
DSSTox Substance ID:DTXSID80478001
Wikidata:Q82311135
Mol file:148672-39-3.mol

Synonyms:148672-39-3;3-(4-BROMO-3-METHYLPHENYL)-5-METHYL-1,2,4-OXADIAZOLE;1,2,4-Oxadiazole,3-(4-bromo-3-methylphenyl)-5-methyl-;UONXUQMORLOTSQ-UHFFFAOYSA-N;SCHEMBL5117600;AMY1995;DTXSID80478001;AKOS015911790;BS-25272;CS-0433592;FT-0724988;E84861;3-(4-bromo-3-methylphenyl)-5-methyl-[1,2,4]oxadiazole

Suppliers and Price of 3-(4-Bromo-3-methylphenyl)-5-methyl-1,2,4-oxadiazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-(4-BROMO-3-METHYLPHENYL)-5-METHYL-1,2,4-OXADIAZOLE 95.00%
5MG
$ 500.58

Total 7 raw suppliers

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

Chemical Property:

Boiling Point:349.8±52.0 °C(Predicted)
PKA:-0.42±0.37(Predicted)
PSA：38.92000
Density:1.465±0.06 g/cm3(Predicted)
LogP:3.11590
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:251.98983
Heavy Atom Count:14
Complexity:203

Purity/Quality:

99%, ^*data from raw suppliers

3-(4-BROMO-3-METHYLPHENYL)-5-METHYL-1,2,4-OXADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)C2=NOC(=N2)C)Br

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

There total 2 articles about 3-(4-Bromo-3-methylphenyl)-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: 100.0%

: 148672-58-6
4-bromo-N-hydroxy-3-methyl-benzamidine

: 108-24-7
acetic anhydride

: 148672-39-3
3-(4'-bromo-3'-methylphenyl)-5-methyl-1,2,4-oxadiazole

Guidance literature:: DOI:10.1016/j.bmcl.2005.07.085

Reference yield:

: 41963-20-6
4-bromo-3-methylbenzonirtile

: 148672-39-3
3-(4'-bromo-3'-methylphenyl)-5-methyl-1,2,4-oxadiazole

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / NH₂OH / methanol

With hydroxylamine; In methanol;
DOI:10.1016/j.bmcl.2005.07.085

Reference yield: 74.0%

: 14047-29-1
4-carboxyphenylboronic acid

: 148672-39-3
3-(4'-bromo-3'-methylphenyl)-5-methyl-1,2,4-oxadiazole

: 148672-68-8
2'-Methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-carboxylic acid

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water;
DOI:10.1016/j.bmcl.2005.07.085