3-(4-Chlorophenyl)-5-ethyl-1,2,4-oxadiazole

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-5-ethyl-1,2,4-oxadiazole
• CAS No.: 196301-93-6
• Molecular Formula: C₁₀H₉ClN₂O
• Molecular Weight: 208.647
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60384515
• Nikkaji Number: J1.859.713F
• Wikidata: Q82176717
• Mol file: 196301-93-6.mol

Synonyms:3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole;196301-93-6;Maybridge3_001093;SCHEMBL201607;DTXSID60384515;PLPLVENHKIILDV-UHFFFAOYSA-N;HMS1434B15;WHA30193;MFCD00121621;AKOS015850278;IDI1_012480;BS-27389;CS-0211382;3-(4-Chloro-phenyl)-5-ethyl-[1,2,4]oxadiazole;A880101;Z57792053

Chemical Property of 3-(4-Chlorophenyl)-5-ethyl-1,2,4-oxadiazole

Chemical Property:

• Melting Point: 30-32 °C
• Boiling Point: 322.6±44.0 °C(Predicted)
• PKA: -0.51±0.25(Predicted)
• PSA: 38.92000
• Density: 1.236±0.06 g/cm3(Predicted)
• LogP: 2.95240
• Storage Temp.: Room temperature.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 208.0403406
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC(=NO1)C2=CC=C(C=C2)Cl

Technology Process of 3-(4-Chlorophenyl)-5-ethyl-1,2,4-oxadiazole

There total 4 articles about 3-(4-Chlorophenyl)-5-ethyl-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:

4-chlorobenzaldehyde oxime (3717-24-6) + propiononitrile (107-12-0) → 4-Cyanochlorobenzene (623-03-0) + 3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole (196301-93-6)

Guidance literature:

With ammonium cerium(IV) nitrate; at 70 ℃; for 1h; Yields of byproduct given;

Reference yield:

4-Cyanochlorobenzene (623-03-0) → 3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole (196301-93-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₂OH; AcOH / 0.02 h / 100 °C / microwave irradiation

2: 0.03 h / 150 °C / microwave irradiation

With hydroxylamine; acetic acid;

DOI:10.1055/s-2006-944200

Reference yield:

2,2,5-trimethyl-1,3-dioxane-4,6-dione (3709-18-0) + 4-chlorobenzamidoxime (5033-28-3) → 3-(4-chlorophenyl)-5-ethyl-1,2,4-oxadiazole (196301-93-6)

Guidance literature:

at 150 ℃; for 0.0333333h; microwave irradiation;

DOI:10.1055/s-2006-944200

upstream raw materials:

4-chlorobenzaldehyde oxime

propiononitrile

2,2,5-trimethyl-1,3-dioxane-4,6-dione

4-chlorobenzamidoxime

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