2,5-Bis(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Base Information

• Chemical Name: 2,5-Bis(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
• CAS No.: 23288-95-1
• Molecular Formula: C20H22 N2 O7
• Molecular Weight: 402.3979
• DSSTox Substance ID: DTXSID90177856
• Wikidata: Q83048203
• ChEMBL ID: CHEMBL1412725
• Mol file: 23288-95-1.mol

Synonyms:2,5-Bis(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole;23288-95-1;BRN 1050733;2,5-Bis-(3,4,5-trimethoxy-phenyl)-[1,3,4]oxadiazole;1,3,4-OXADIAZOLE, 2,5-BIS(3,4,5-TRIMETHOXYPHENYL)-;2,5-Bis(3,4,5-trimetossifenilico)-1,3,4-ossadiazoli [Italian];2,5-Bis(3,4,5-trimetossifenilico)-1,3,4-ossadiazoli;HMS2296J13;MLS000527344;CHEMBL1412725;DTXSID90177856;STK242681;AKOS000646370;NCGC00245346-01;LS-99097;SMR000117818;AF-399/40768929;SR-01000315848;SR-01000315848-1;Z50153047;F1424-0090

Chemical Property of 2,5-Bis(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Chemical Property:

• Vapor Pressure: 1.67E-11mmHg at 25°C
• Boiling Point: 548°C at 760 mmHg
• Flash Point: 285.2°C
• PSA: 94.30000
• Density: 1.207g/cm³
• LogP: 3.45520
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 402.14270105
• Heavy Atom Count: 29
• Complexity: 430

Purity/Quality:

99% ^*data from raw suppliers

2,5-BIS-(3,4,5-TRIMETHOXY-PHENYL)-[1,3,4]OXADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)C3=CC(=C(C(=C3)OC)OC)OC

Technology Process of 2,5-Bis(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

There total 4 articles about 2,5-Bis(3,4,5-trimethoxyphenyl)-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: 70.0%

3,4,5-trimethoxy-benzoic acid (3,4,5-trimethoxy-benzylidene)-hydrazide (90754-75-9) → 2,5-bis-(3,4,5-trimethoxy-phenyl)-[1,3,4]oxadiazole (23288-95-1)

Guidance literature:

With bromine; sodium acetate; In acetic acid;

Reference yield: 30.0%

Eudesmic acid (118-41-2) → 2,5-bis-(3,4,5-trimethoxy-phenyl)-[1,3,4]oxadiazole (23288-95-1)

Guidance literature:

With hydrazinium sulfate; trichlorophosphate; at 105 - 110 ℃; for 20h;

Reference yield:

3,4,5-trimethoxy-benzaldehyde (86-81-7) → 2,5-bis-(3,4,5-trimethoxy-phenyl)-[1,3,4]oxadiazole (23288-95-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / methanol / 0.5 h / Heating

2: 70 percent / Br₂, NaOAc / acetic acid

With bromine; sodium acetate; In methanol; acetic acid;

upstream raw materials:

3,4,5-trimethoxy-benzoic acid (3,4,5-trimethoxy-benzylidene)-hydrazide

Eudesmic acid

3,4,5-trimethoxy-benzaldehyde

3,4,5-trimethoxybenzohydrazide