5-(2-Fluoro-6-iodophenyl)-3-methyl-1,2,4-oxadiazole

Base Information

Chemical Name:5-(2-Fluoro-6-iodophenyl)-3-methyl-1,2,4-oxadiazole
CAS No.:578729-12-1
Molecular Formula:C9H6FIN2O
Molecular Weight:304.062
Hs Code.:
DSSTox Substance ID:DTXSID70582883
Wikidata:Q82474384

Synonyms:5-(2-fluoro-6-iodophenyl)-3-methyl-1,2,4-oxadiazole;578729-12-1;SCHEMBL1586087;DTXSID70582883;XQZQSDBOJMYFIR-UHFFFAOYSA-N

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Supply Marketing:

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

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Chemical Property of 5-(2-Fluoro-6-iodophenyl)-3-methyl-1,2,4-oxadiazole

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:303.95089
Heavy Atom Count:14
Complexity:207

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC(=N1)C2=C(C=CC=C2I)F

Technology Process of 5-(2-Fluoro-6-iodophenyl)-3-methyl-1,2,4-oxadiazole

There total 6 articles about 5-(2-Fluoro-6-iodophenyl)-3-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: 82.0%

: 1293912-40-9
(Z)-N'-((2-fluoro-6-iodobenzoyl)oxy)acetimidamide

: 578729-12-1
5-(2-fluoro-6-iodophenyl)-3-methyl-1,2,4-oxadiazole

Guidance literature:: With sodium acetate; In butan-1-ol; at 110 ℃; for 288h;

Reference yield: 47.0%

: 18871-66-4
N,N-dimethylacetamide dimethyl acetal

: 676445-27-5
6-fluoro-2-iodobenzamide

: 578729-12-1
5-(2-fluoro-6-iodophenyl)-3-methyl-1,2,4-oxadiazole

Guidance literature:: N,N-dimethylacetamide dimethyl acetal; 6-fluoro-2-iodobenzamide; at 120 ℃; for 5h;

With sodium hydroxide; hydroxylamine hydrochloride; acetic acid; In 1,4-dioxane; at 60 - 90 ℃; for 5h;
DOI:10.1021/jm061094b

Reference yield:

: 111771-08-5
2-fluoro-6-iodobenzoic acid

: 578729-12-1
5-(2-fluoro-6-iodophenyl)-3-methyl-1,2,4-oxadiazole

Guidance literature:: Multi-step reaction with 3 steps

1.1: oxalyl chloride; DMF / CH₂Cl₂ / 1.25 h / 20 °C

2.1: ammonia (gas) / CH₂Cl₂

3.1: 5 h / 120 °C

3.2: 47 percent / hydroxylamine hydrochloride; aq. NaOH; acetic acid / dioxane / 5 h / 60 - 90 °C

With oxalyl dichloride; ammonia; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1021/jm061094b