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

Base Information

• Chemical Name: 5-(Chloromethyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
• CAS No.: 937626-96-5
• Molecular Formula: C₁₁H₁₁ClN₂O₂
• Molecular Weight: 238.674
• European Community (EC) Number: 850-300-8
• Mol file: 937626-96-5.mol

Synonyms:5-(chloromethyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole;937626-96-5;BBL031196;STL295925;AKOS000135683;MCULE-9909542120;VS-10313;CS-0245816;EN300-31194;Z319444086

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

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 238.0509053
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

5-(CHLOROMETHYL)-3-(4-ETHOXYPHENYL)-1,2,4-OXADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C2=NOC(=N2)CCl

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

There total 2 articles about 5-(Chloromethyl)-3-(4-ethoxyphenyl)-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: 72.0%

4-ethoxy-N'-hydroxybenzimidamide (49773-26-4) + chloroacetyl chloride (79-04-9) → 5-(chloromethyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole (937626-96-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1,1-dichloroethane; at 0 ℃; Reflux;

DOI:10.1016/j.ejmech.2010.02.021

Reference yield:

4-ethoxybenzonitrile (25117-74-2) → 5-(chloromethyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole (937626-96-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium carbonate

2: N-ethyl-N,N-diisopropylamine / dichloromethane

With hydroxylamine hydrochloride; sodium carbonate; N-ethyl-N,N-diisopropylamine; In dichloromethane;

DOI:10.14233/ajchem.2017.20626 DOI:10.1080/14756366.2021.1900162

Reference yield: 88.0%

(5-chloro-2-hydroxyphenyl)phenylmethanone (85-19-8) + 5-(chloromethyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole (937626-96-5) → {5-chloro-2-[(3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl)-methoxy]-phenyl}-(phenyl)-methanone (1229114-82-2)

Guidance literature:

With potassium carbonate; In ethanol; for 0.116667h; Microwave irradiation;

DOI:10.14233/ajchem.2017.20626

upstream raw materials:

4-ethoxy-N'-hydroxybenzimidamide

chloroacetyl chloride

4-ethoxybenzonitrile

Downstream raw materials:

{5-chloro-2-[(3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl)-methoxy]-phenyl}-(phenyl)-methanone

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