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

Base Information

• Chemical Name: 2-(Chloromethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
• CAS No.: 24068-15-3
• Molecular Formula: C9H6 Cl2 N2 O
• Molecular Weight: 229.065
• Hs Code.: 2934999090
• European Community (EC) Number: 874-737-9
• DSSTox Substance ID: DTXSID40361480
• Wikidata: Q82143820
• Mol file: 24068-15-3.mol

Synonyms:2-(chloromethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole;24068-15-3;SCHEMBL2640766;DTXSID40361480;MFCD00714902;STK291162;AKOS000118710;AB06978;BB 0238396;CS-0307825;FT-0638384;EN300-08138;A878029;11Y-0809;J-506299;Z56943394;2-Chloromethyl-5-(4-chloro-phenyl)-[1,3,4]ox adiazole;2-(chloromethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 0.000136mmHg at 25°C
• Melting Point: 81-85oC
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 343.8°Cat760mmHg
• Flash Point: 161.7°C
• PSA: 38.92000
• Density: 1.4g/cm³
• LogP: 3.12880
• XLogP3: 2.5
• 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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-25
• Safety Statements: 37/39-26-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN=C(O2)CCl)Cl

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

There total 11 articles about 2-(Chloromethyl)-5-(4-chlorophenyl)-1,3,4-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: 93.0%

4-chlorobenzoic acid hydrazide (536-40-3) + chloroacetic acid (79-11-8) → 2‐(chloromethyl)‐5‐(4‐chlorophenyl)‐1,3,4‐oxadiazole (24068-15-3)

Guidance literature:

With trichlorophosphate; Reflux;

DOI:10.1016/j.ejmech.2011.01.063

Reference yield: 82.0%

1-(chloroacetyl)-2-(4-chlorobenzoyl)hydrazine (50677-27-5) → 2‐(chloromethyl)‐5‐(4‐chlorophenyl)‐1,3,4‐oxadiazole (24068-15-3)

Guidance literature:

With trichlorophosphate; In acetonitrile; for 16h; Reflux;

Reference yield: 82.0%

4-chlorobenzoic acid hydrazide (536-40-3) + chloroacetyl chloride (79-04-9) → 2‐(chloromethyl)‐5‐(4‐chlorophenyl)‐1,3,4‐oxadiazole (24068-15-3)

Guidance literature:

4-chlorobenzoic acid hydrazide; With triethylamine; In dichloromethane;

chloroacetyl chloride; In dichloromethane; at 0 - 20 ℃; for 4h;

With tetrachloromethane; triphenylphosphine; In dichloromethane; for 12h; Reflux;

DOI:10.1039/c7nj00920h

upstream raw materials:

1-(chloroacetyl)-2-(4-chlorobenzoyl)hydrazine

4-chlorobenzoic acid hydrazide

2-chloro-1,1,1-trimethoxyethane

ethyl 4-chlorobenzoate

Downstream raw materials:

1-[5-(4-chloro-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-1H-pyridin-2-ylideneamine

o-Tolyl-dithiocarbamic acid 5-(4-chloro-phenyl)-[1,3,4]oxadiazol-2-ylmethyl ester

p-Tolyl-dithiocarbamic acid 5-(4-chloro-phenyl)-[1,3,4]oxadiazol-2-ylmethyl ester

(4-Chloro-phenyl)-dithiocarbamic acid 5-(4-chloro-phenyl)-[1,3,4]oxadiazol-2-ylmethyl ester