3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

Base Information

Chemical Name:3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CAS No.:166179-37-9
Molecular Formula:C9H6ClFN2O
Molecular Weight:212.611
Hs Code.:2934999090
DSSTox Substance ID:DTXSID80427953
Wikidata:Q82240707
Mol file:166179-37-9.mol

Synonyms:3-(chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole;166179-37-9;1,2,4-Oxadiazole, 3-(chloromethyl)-5-(4-fluorophenyl)-;SCHEMBL1545207;DTXSID80427953;REASHIJFDMZTQP-UHFFFAOYSA-N;STK693831;AKOS005605412;AB43011;EN300-23590;Z156942634

Suppliers and Price of 3-(Chloromethyl)-5-(4-fluorophenyl)-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

TRC
3-(chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
50mg
$ 65.00

TRC
3-(chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
25mg
$ 45.00

American Custom Chemicals Corporation
3-(CHLOROMETHYL)-5-(4-FLUOROPHENYL)-1,2,4-OXADIAZOLE 95.00%
1G
$ 852.55

American Custom Chemicals Corporation
3-(CHLOROMETHYL)-5-(4-FLUOROPHENYL)-1,2,4-OXADIAZOLE 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
3-(CHLOROMETHYL)-5-(4-FLUOROPHENYL)-1,2,4-OXADIAZOLE 95.00%
2.5G
$ 1227.82

AK Scientific
3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
2.5g
$ 892.00

AK Scientific
3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
100mg
$ 203.00

Total 2 raw suppliers

Chemical Property of 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

Chemical Property:

PSA：38.92000
LogP:2.61450
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:212.0152687
Heavy Atom Count:14
Complexity:188

Purity/Quality:

99%+ ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NC(=NO2)CCl)F

Technology Process of 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

There total 5 articles about 3-(Chloromethyl)-5-(4-fluorophenyl)-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: 31.0%

: 166179-37-9
3-chloromethyl-5-(4-fluoro-phenyl)-[1,2,4]oxadiazole

Guidance literature:

Reference yield:

: 166179-36-8
2-chloro-N-((4-fluorobenzoyl)oxy)acetimidamide

: 166179-37-9
3-chloromethyl-5-(4-fluoro-phenyl)-[1,2,4]oxadiazole

Guidance literature:: With acetic acid; at 120 ℃;
DOI:10.1016/j.ejmech.2019.111635

Reference yield:

: 403-43-0
4-fluorobenzoyl chloride

: 166179-37-9
3-chloromethyl-5-(4-fluoro-phenyl)-[1,2,4]oxadiazole

Guidance literature:: Multi-step reaction with 2 steps

1: DIEA / CH₂Cl₂ / 24 h / 20 °C

2: toluene / 24 h / Heating

With N-ethyl-N,N-diisopropylamine; In dichloromethane; toluene;
DOI:10.1016/j.bmcl.2004.11.044