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

Base Information

• Chemical Name: 2-(Chloromethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
• CAS No.: 24023-71-0
• Molecular Formula: C10H9 Cl N2 O2
• Molecular Weight: 224.647
• Hs Code.: 29349990
• European Community (EC) Number: 640-265-5
• DSSTox Substance ID: DTXSID20370151
• Wikidata: Q82157453
• Mol file: 24023-71-0.mol

Synonyms:2-(chloromethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole;24023-71-0;2-CHLOROMETHYL-5-(4-METHOXYPHENYL)-1,2,4-OXADIAZOLE;Didodecylsulfide;SCHEMBL1221670;DTXSID20370151;GEHIXSKXGCIKJJ-UHFFFAOYSA-N;ZAA02371;MFCD01230030;AKOS000123249;AB08397;CS-10450;BB 0238377;FT-0660711;EN300-18072;A878055;2-Chloromethyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole;Z57139285;2-Chloromethyl-5-(4-methoxy-phenyl)-[1,3,4]oxadiazole;2-Chloromethyl-5-(4-methoxy-phenyl)-[1,3,4] oxadiazole

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

Chemical Property:

• Vapor Pressure: 6.63E-05mmHg at 25°C
• Melting Point: 91-95 °C
• Refractive Index: 1.5790 (estimate)
• Boiling Point: 354.9°Cat760mmHg
• Flash Point: 168.4°C
• PSA: 48.15000
• Density: 1.278g/cm³
• LogP: 2.48400
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 224.0352552
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)CCl

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

There total 6 articles about 2-(Chloromethyl)-5-(4-methoxyphenyl)-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-methoxybenzoic acid hydrazide (3290-99-1) + 2-chloro-1,1,1-trimethoxyethane (74974-54-2) → 2-(chloromethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (24023-71-0)

Guidance literature:

at 160 ℃; for 0.0833333h; microwave irradiation;

DOI:10.1081/SCC-200025582

Reference yield: 55.0%

PCM-0102115 (50677-25-3) → 2-(chloromethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (24023-71-0)

Guidance literature:

With trichlorophosphate; for 5h;

Reference yield:

4-methoxybenzoic acid hydrazide (3290-99-1) → 2-(chloromethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (24023-71-0)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran

2: POCl₃ / 3 h / Heating

With trichlorophosphate; In tetrahydrofuran;

DOI:10.1021/jf0208029

upstream raw materials:

PCM-0102115

4-methoxybenzoic acid hydrazide

2-chloro-1,1,1-trimethoxyethane

ethyl 4-methoxybenzoate

Downstream raw materials:

4-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-morpholine

1-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-1,2,3,4-tetrahydro-quinoline

2-(4-methoxy-phenyl)-5-[1,2,3]triazol-2-ylmethyl-[1,3,4]oxadiazole

ethyl 2-{[5'-(4''-methoxyphenyl)-1',3',4'-oxadiazol-2'-yl]methyl}-2-(4'''-nitrophenyl)propanoate