1,2,4-Oxadiazole

Base Information Edit

Chemical Name:1,2,4-Oxadiazole
CAS No.:288-90-4
Molecular Formula:C2H2 N2 O
Molecular Weight:70.05
Hs Code.:
DSSTox Substance ID:DTXSID90182985
Nikkaji Number:J5.456I
Wikidata:Q56054487
Mol file:288-90-4.mol

Synonyms:1,2,4-Oxadiazole;Azoxime;2,4-Diazafuran;288-90-4;DTXSID90182985;BBVIDBNAYOIXOE-UHFFFAOYSA-N

Suppliers and Price of 1,2,4-Oxadiazole

Supply Marketing:Edit

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

Usbiological
1,2,4-Oxadiazole
5mg
$ 360.00

TRC
1,2,4-Oxadiazole
50mg
$ 690.00

Total 5 raw suppliers

Chemical Property of 1,2,4-Oxadiazole Edit

Chemical Property:

Vapor Pressure:86.5mmHg at 25°C
Melting Point:69-70 °C(Solv: ethanol (64-17-5))
Boiling Point:82.7°C at 760 mmHg
PKA:-0.28±0.20(Predicted)
Flash Point:12.9°C
PSA：38.92000
Density:1.193g/cm³
LogP:0.06960
XLogP3:0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:70.016712692
Heavy Atom Count:5
Complexity:30.8

Purity/Quality:

99%, ^*data from raw suppliers

1,2,4-Oxadiazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=NOC=N1
Description 1,2,4-Oxadiazole is a five-membered, planar, conjugated, nonbenzonoid, aromatic heterocyclic system comprised of one oxygen atom and two nitrogen atoms at positions 2 and 4 of the oxadiazole ring. The oxadiazole ring has two pyridine-like nitrogen atoms. Positions 3 and 5 are vulnerable for nucleophilic substitution to form 3,5-disubstituted 1,2,4-oxadiazoles. The topography of the 1,2,4-oxadiazole ring reveals that it has a more heterodiene character compared to its aromatic nature. The substituted 1,2,4-oxadiazole ring system was first reported in 1880 but the parent 1,2,4-oxadiazole was not reported until 1962 because of instability of the molecule.
Physical properties The parent 1H-1,2,4-oxadiazole is highly unstable and its synthesis has not been reported so far. The 3,5-disubstituted 1,2,4-oxadiazoles are stable, while monosubstituted oxadiazoles are less stable and prone to acid- and base-induced hydrolysis. The 13C NMR spectra of 3,5-diaryl-1,2,4-oxadiazoles in CDCl3 showed chemical shift for C3 at 168.8–169.0 ppm and C5 at 174.7–175.8 ppm.
Uses 1,2,4-Oxadiazole can be used in biological study of antitubercular activity of butyrate-specific oxadiazoles against Mycobacterium tuberculosis and their cytotoxicity on monkey kidney cells.

Technology Process of 1,2,4-Oxadiazole

There total 8 articles about 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: 53.0%