3-(3-bromobenzylthio)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole

Base Information

• Chemical Name: 3-(3-bromobenzylthio)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole
• CAS No.: 1338597-31-1
• Molecular Formula: C₂₃H₁₈BrN₃O₂S
• Molecular Weight: 480.385
• Mol file: 1338597-31-1.mol

Synonyms:3-(3-bromobenzylthio)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole

Chemical Property of 3-(3-bromobenzylthio)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(3-bromobenzylthio)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole

There total 6 articles about 3-(3-bromobenzylthio)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-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: 92.0%

meta-bromobenzyl bromide (823-78-9) + 5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol (1338597-15-1) → 3-(3-bromobenzylthio)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole (1338597-31-1)

Guidance literature:

With sodium hydroxide; In acetonitrile; Reflux;

DOI:10.1016/j.bmc.2011.08.063

Reference yield:

2-(2,3-dihydrobenzo[b][1,4]dioxin-6-carbonyl)-N-phenylhydrazinecarbothioamide (1009922-41-1) → 3-(3-bromobenzylthio)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole (1338597-31-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / 0.5 h / Reflux

1.2: 20 °C / pH 3 - 4

2.1: sodium hydroxide / acetonitrile / Reflux

With sodium hydroxide; In acetonitrile;

DOI:10.1016/j.bmc.2011.08.063

Reference yield:

2,3-dihydro-1,4-benzodioxin-6-carboxylic acid (4442-54-0) → 3-(3-bromobenzylthio)-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole (1338597-31-1)

Guidance literature:

Multi-step reaction with 5 steps

1.1: sulfuric acid / Reflux

2.1: hydrazine hydrate / ethanol / 120 h / Reflux

3.1: ethanol / 0.5 h / Reflux

4.1: sodium hydroxide / 0.5 h / Reflux

4.2: 20 °C / pH 3 - 4

5.1: sodium hydroxide / acetonitrile / Reflux

With sulfuric acid; hydrazine hydrate; sodium hydroxide; In ethanol; acetonitrile;

DOI:10.1016/j.bmc.2011.08.063

upstream raw materials:

2-(2,3-dihydrobenzo[b][1,4]dioxin-6-carbonyl)-N-phenylhydrazinecarbothioamide

meta-bromobenzyl bromide

5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol

2,3-dihydro-1,4-benzodioxin-6-carboxylic acid