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

Base Information

• Chemical Name: 5-(Chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
• CAS No.: 57238-75-2
• Molecular Formula: C9H6Cl2N2O
• Molecular Weight: 229.065
• Hs Code.: 2934999090
• European Community (EC) Number: 850-279-5
• DSSTox Substance ID: DTXSID70370924
• Wikidata: Q82158110

Synonyms:5-(chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole;57238-75-2;5-chloromethyl-3-(4-chlorophenyl)-1,2,4-oxadiazole;5-Chloromethyl-3-(4-chloro-phenyl)-[1,2,4]oxadiazole;5-chloromethyl-3-(4-chlorophenyl)-[1,2,4]oxadiazole;SCHEMBL507782;DTXSID70370924;BJVYSQGEJHKTBW-UHFFFAOYSA-N;MFCD00119077;STK336421;AKOS000111845;AB03491;AC-6665;A8163;BB 0217974;CS-0035769;FT-0619701;EN300-12618;10X-0347;J-516319;Z57743273

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

Chemical Property:

• Vapor Pressure: 0.000136mmHg at 25°C
• Melting Point: 60 °C
• Refractive Index: 1.574
• Boiling Point: 343.8 °C at 760 mmHg
• PKA: -2.75±0.37(Predicted)
• Flash Point: 161.7 °C
• PSA: 38.92000
• Density: 1.4 g/cm³
• LogP: 3.12880
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.9857182
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NOC(=N2)CCl)Cl

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

There total 12 articles about 5-(Chloromethyl)-3-(4-chlorophenyl)-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: 88.0%

4-chlorobenzamidoxime (5033-28-3) + chloroacetyl chloride (79-04-9) → 5-(chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole (57238-75-2)

Guidance literature:

With triethylamine; In benzene; for 10h; Reflux;

DOI:10.1016/j.ejmech.2011.12.028

Reference yield: 83.0%

(Z)-N'-(2-chloroacetoxy)-4-chlorobenzimidamide (93048-83-0) → 5-(chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole (57238-75-2)

Guidance literature:

In toluene; for 2h; Reflux; Molecular sieve;

DOI:10.1021/jm400221d

Reference yield: 83.0%

→ 5-(chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole (57238-75-2)

Guidance literature:

upstream raw materials:

4-chloro-N-chloroacetoxy-benzamidine

4-chloro-N-hydroxybenzimidamide

chloroacetyl chloride

2-bromoacetyl chloride

Downstream raw materials:

3-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole

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

3-(4-chlorophenyl)-5-(hydroxymethyl)-1,2,4-oxadiazole

7-[(2-trimethylsilyl)ethoxymethyl]-8-[4-{[3-(4-chlorophenyl)(1,2,4-oxadiazol-5-yl)]methoxy}phenyl]-1,3-dipropyl-1,3,7-trihydropurine-2,6-dione

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