1,2,4-Oxadiazole, 5-(bromodifluoromethyl)-3-phenyl-

Base Information

Chemical Name:1,2,4-Oxadiazole, 5-(bromodifluoromethyl)-3-phenyl-
CAS No.:212311-55-2
Molecular Formula:C9H5BrF2N2O
Molecular Weight:275.05000
Hs Code.:
DSSTox Substance ID:DTXSID70445161
Nikkaji Number:J999.665F
Mol file:212311-55-2.mol

Synonyms:1,2,4-Oxadiazole, 5-(bromodifluoromethyl)-3-phenyl-;212311-55-2;DTXSID70445161;3-Phenyl-5-(bromodifluoromethyl)-1,2,4-oxadiazole

Suppliers and Price of 1,2,4-Oxadiazole, 5-(bromodifluoromethyl)-3-phenyl-

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 1,2,4-Oxadiazole, 5-(bromodifluoromethyl)-3-phenyl-

Chemical Property:

Boiling Point:276.9±50.0 °C(Predicted)
PSA：38.92000
Density:1.664±0.06 g/cm3(Predicted)
LogP:3.18080
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:273.95533
Heavy Atom Count:15
Complexity:224

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1,2,4-Oxadiazole, 5-(bromodifluoromethyl)-3-phenyl-

There total 2 articles about 1,2,4-Oxadiazole, 5-(bromodifluoromethyl)-3-phenyl- 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: 35.0%

: 667-27-6
Ethyl bromodifluoroacetate

: 613-92-3
N-hydroxyl-benzamidine

: 212311-55-2
5-(Bromodifluoromethyl)-3-phenyl-1,2,4-oxadiazole

Guidance literature:: With triethylamine; In toluene; for 3h; Heating;
DOI:10.1016/S0022-1139(99)00007-X

Reference yield:

: 100-47-0
benzonitrile

: 212311-55-2
5-(Bromodifluoromethyl)-3-phenyl-1,2,4-oxadiazole

Guidance literature:: Multi-step reaction with 2 steps

1: 64 percent / H₂NOH*HCl; NaOH; H₂O / ethanol / 25 h / Heating

2: 35 percent / Et₃N / toluene / 3 h / Heating

With sodium hydroxide; hydroxylamine hydrochloride; water; triethylamine; In ethanol; toluene; 1: Addition / 2: Cyclization;
DOI:10.1016/S0022-1139(99)00007-X

Reference yield: 82.0%

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 212311-55-2
5-(Bromodifluoromethyl)-3-phenyl-1,2,4-oxadiazole

: (E)-5-(1,1-difluoro-3-phenylallyl)-3-phenyl-1,2,4-oxadiazole

Guidance literature:: With copper(l) iodide; N,N,N',N'',N'''-pentamethyldiethylenetriamine; In acetonitrile; at 50 ℃; for 12h; stereoselective reaction; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.orglett.7b01712