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

Base Information

• Chemical Name: 3-(Chloromethyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
• CAS No.: 73217-34-2
• Molecular Formula: C10H9ClN2O
• Molecular Weight: 208.647
• DSSTox Substance ID: DTXSID601221172

Synonyms:3-(chloromethyl)-5-(2-methylphenyl)-1,2,4-oxadiazole;73217-34-2;DTXSID601221172;AKOS000125527;CS-0231333;3-(chloromethyl)-5-o-tolyl-1,2,4-oxadiazole;EN300-107933

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

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 208.0403406
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=NC(=NO2)CCl

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

There total 3 articles about 3-(Chloromethyl)-5-(2-methylphenyl)-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:

2-chloro-N-((2-methylbenzoyl)oxy)acetimidamide → 3-(chloromethyl)-5-(o-tolyl)-1,2,4-oxadiazole (73217-34-2)

Guidance literature:

With acetic acid; at 120 ℃;

DOI:10.1016/j.ejmech.2019.111635

Reference yield:

C10H11ClN2O2 (844498-82-4) → 3-(chloromethyl)-5-(o-tolyl)-1,2,4-oxadiazole (73217-34-2)

Guidance literature:

In toluene; for 24h; Heating;

DOI:10.1016/j.bmcl.2004.11.044

Reference yield:

ortho-toluoyl chloride (933-88-0) + 2-chloro-N-hydroxyethanimidamide (3272-96-6) → 3-(chloromethyl)-5-(o-tolyl)-1,2,4-oxadiazole (73217-34-2)

Guidance literature:

upstream raw materials:

ortho-toluoyl chloride

2-chloro-N-hydroxyethanimidamide

C₁₀H₁₁ClN₂O₂

Downstream raw materials:

1-(5-o-tolyl-[1,2,4]oxadiazol-3-ylmethyl)-pyridinium; chloride

N,N-dimethyl-N'-(5-o-tolyl-[1,2,4]oxadiazol-3-ylmethylene)-benzene-1,4-diamine N'-oxide

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