3-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)thiazolo(3,2-b)(1,2,4)triazole

Base Information

• Chemical Name: 3-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)thiazolo(3,2-b)(1,2,4)triazole
• CAS No.: 140405-79-4
• Molecular Formula: C₁₈H₁₃N₃O₂S
• Molecular Weight: 335.386
• DSSTox Substance ID: DTXSID10930788
• Nikkaji Number: J455.213J
• Mol file: 140405-79-4.mol

Synonyms:BRN 4883227;140405-79-4;3-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)thiazolo(3,2-b)(1,2,4)triazole;Thiazolo(3,2-b)(1,2,4)triazole, 3-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)-;DTXSID10930788;LS-152213;2-(3,4-Methylenedioxyphenyl)-6-p-tolylthiazolo[3,2-b][1,2,4]triazole;2-(2H-1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazole

Chemical Property of 3-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)thiazolo(3,2-b)(1,2,4)triazole

Chemical Property:

• Density: 1.48g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 335.07284784
• Heavy Atom Count: 24
• Complexity: 460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CSC3=NC(=NN23)C4=CC5=C(C=C4)OCO5

Technology Process of 3-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)thiazolo(3,2-b)(1,2,4)triazole

There total 4 articles about 3-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)thiazolo(3,2-b)(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:

2-(5-Benzo[1,3]dioxol-5-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-p-tolyl-ethanone (140406-06-0) → 2-Benzo[1,3]dioxol-5-yl-6-p-tolyl-thiazolo[3,2-b][1,2,4]triazole (140405-79-4)

Guidance literature:

With hydrogenchloride; In ethanol; for 5h; Yield given; Heating;

DOI:10.1016/0223-5234(91)90135-A

Reference yield:

3-(3,4-diossimetilenefenil)-5-mercapto-4H-1,2,4-triazolo (77803-43-1) → 2-Benzo[1,3]dioxol-5-yl-6-p-tolyl-thiazolo[3,2-b][1,2,4]triazole (140405-79-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / KOH, MeOH / 0.5 h / Heating

2: 10 N HCl / ethanol / 5 h / Heating

With hydrogenchloride; methanol; potassium hydroxide; In ethanol;

DOI:10.1016/0223-5234(91)90135-A

Reference yield:

4-(bromoacetyl)toluene (619-41-0) → 2-Benzo[1,3]dioxol-5-yl-6-p-tolyl-thiazolo[3,2-b][1,2,4]triazole (140405-79-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / KOH, MeOH / 0.5 h / Heating

2: 10 N HCl / ethanol / 5 h / Heating

With hydrogenchloride; methanol; potassium hydroxide; In ethanol;

DOI:10.1016/0223-5234(91)90135-A

upstream raw materials:

2-(5-Benzo[1,3]dioxol-5-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-p-tolyl-ethanone

3-(3,4-diossimetilenefenil)-5-mercapto-4H-1,2,4-triazolo

4-(bromoacetyl)toluene