2-(2-Methoxyphenyl)-1,3,4-oxadiazole

Base Information

• Chemical Name: 2-(2-Methoxyphenyl)-1,3,4-oxadiazole
• CAS No.: 42966-95-0
• Molecular Formula: C9H8N2O2
• Molecular Weight: 176.175
• European Community (EC) Number: 889-384-6
• DSSTox Substance ID: DTXSID90589834
• Nikkaji Number: J3.538.688B
• Wikidata: Q82483441
• Mol file: 42966-95-0.mol

Synonyms:2-(2-Methoxyphenyl)-1,3,4-oxadiazole;42966-95-0;1,3,4-oxadiazole, 2-(2-methoxyphenyl)-;DTXSID90589834;AKOS004090646;DB-291668;CS-0230150;EN300-102493;G44901;Z1198177230

Chemical Property of 2-(2-Methoxyphenyl)-1,3,4-oxadiazole

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 307.689°C at 760 mmHg
• Flash Point: 139.885°C
• PSA: 48.15000
• Density: 1.191g/cm³
• LogP: 1.74520
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 176.058577502
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C2=NN=CO2

Technology Process of 2-(2-Methoxyphenyl)-1,3,4-oxadiazole

There total 11 articles about 2-(2-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: 90.0%

2-(1,3,4-oxadiazol-2-yl)-phenol (1008-65-7) + methyl iodide (74-88-4) → 2-(2-methoxyphenyl)-1,3,4-oxadiazole (42966-95-0)

Guidance literature:

With potassium carbonate; In acetone; at 85 ℃; Inert atmosphere; Sealed tube;

DOI:10.1039/c2cc36711d

Reference yield: 79.0%

2-methoxybenzoylhydrazine (7466-54-8) + orthoformic acid triethyl ester (122-51-0) → 2-(2-methoxyphenyl)-1,3,4-oxadiazole (42966-95-0)

Guidance literature:

In o-xylene; Reflux;

DOI:10.1134/S1070363218030349

Reference yield: 63.0%

2-methoxybenzoylhydrazine (7466-54-8) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 2-(2-methoxyphenyl)-1,3,4-oxadiazole (42966-95-0)

Guidance literature:

1-(4-methoxyphenyl)ethanone; With iodine; dimethyl sulfoxide; In water; at 110 ℃; for 1h; Sealed tube;

2-methoxybenzoylhydrazine; With potassium carbonate; In water; dimethyl sulfoxide; at 110 ℃; for 15h; Sealed tube;

DOI:10.1021/acs.orglett.5b01241

upstream raw materials:

2-methoxybenzoylhydrazine

trimethyl orthoformate

2-(1,3,4-oxadiazol-2-yl)-phenol

methyl iodide

Downstream raw materials:

C₁₉H₂₇N₃O₅

(2-methoxy)-2-phenyl-1,3,4-oxadiazolyldiphenylphosphine

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

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

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