3,5-Bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole

Base Information

• Chemical Name: 3,5-Bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole
• CAS No.: 107572-59-8
• Molecular Formula: C₁₈H₁₉N₃O₄
• Molecular Weight: 341.367
• DSSTox Substance ID: DTXSID80148090
• Nikkaji Number: J3.303.860G
• Wikidata: Q83013537
• Mol file: 107572-59-8.mol

Synonyms:3,5-Bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole;107572-59-8;1H-1,2,4-Triazole, 3,5-bis(3,4-dimethoxyphenyl)-;DTXSID80148090;LS-155820

Chemical Property of 3,5-Bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 7.5E-12mmHg at 25°C
• Boiling Point: 543°Cat760mmHg
• Flash Point: 190.8°C
• Density: 1.215g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 341.13755610
• Heavy Atom Count: 25
• Complexity: 414

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OC)OC)OC

Technology Process of 3,5-Bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole

There total 3 articles about 3,5-Bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole 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: 67.0%

3,4-dimethoxy benzenecarboximidamide hydrochloride (51488-33-6) → 3,5-bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole (107572-59-8)

Guidance literature:

With 1,10-Phenanthroline; copper(II) bis(trifluoromethanesulfonate); sodium hydrogencarbonate; potassium hexacyanoferrate(III); In 1,2-dichloro-benzene; at 130 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tet.2014.01.019

Reference yield: 64.0%

ethyl 3,4-dimethoxybenzimidate hydrochloride (13602-19-2) → 3,5-bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole (107572-59-8)

Guidance literature:

With 1,10-Phenanthroline; ammonium carbonate; copper(II) bis(trifluoromethanesulfonate); sodium hydrogencarbonate; potassium hexacyanoferrate(III); In 1,2-dichloro-benzene; at 130 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tet.2014.01.019

Reference yield:

veratronitrile (2024-83-1) → 3,5-bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole (107572-59-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetyl chloride / 48 h / 0 - 20 °C

2: sodium hydrogencarbonate; potassium hexacyanoferrate(III); 1,10-Phenanthroline; copper(II) bis(trifluoromethanesulfonate); ammonium carbonate / 1,2-dichloro-benzene / 24 h / 130 °C / Sealed tube

With 1,10-Phenanthroline; ammonium carbonate; copper(II) bis(trifluoromethanesulfonate); sodium hydrogencarbonate; acetyl chloride; potassium hexacyanoferrate(III); In 1,2-dichloro-benzene;

DOI:10.1016/j.tet.2014.01.019

upstream raw materials:

ethyl 3,4-dimethoxybenzimidate hydrochloride

3,4-dimethoxy benzenecarboximidamide hydrochloride

veratronitrile

Refernces