2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

Base Information

• Chemical Name: 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
• CAS No.: 498537-27-2
• Molecular Formula: C₂₇H₂₅N₇O₂S₃
• Molecular Weight: 575.739
• Mol file: 498537-27-2.mol

Synonyms:2-(5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(2-(2-(benzylamino)-2-oxoethylthio)benzo[d]thiazol-6-yl)acetamide

Chemical Property of 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

There total 12 articles about 2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide 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: 83.0%

N-benzyl-2-(6-(2-bromoacetamido)benzo[d]thiazol-2-ylthio)acetamide + 5-(4-aminophenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione (149622-77-5) → 2-(5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(2-(2-(benzylamino)-2-oxoethylthio)benzo[d]thiazol-6-yl)acetamide (498537-27-2)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 20 ℃; for 2h; regioselective reaction;

DOI:10.1002/cmdc.201300114

Reference yield:

2-(4-aminobenzoyl)-N-methylhydrazinecarbothioamide (827579-80-6) → 2-(5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(2-(2-(benzylamino)-2-oxoethylthio)benzo[d]thiazol-6-yl)acetamide (498537-27-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / 0.05 h / 150 °C / Microwave irradiation

2: potassium hydroxide / ethanol; water / 2 h / 20 °C

With potassium hydroxide; sodium hydroxide; In ethanol; water;

DOI:10.1002/cmdc.201300114

Reference yield:

2-amino-benzenethiol (137-07-5) → 2-(5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(2-(2-(benzylamino)-2-oxoethylthio)benzo[d]thiazol-6-yl)acetamide (498537-27-2)

Guidance literature:

Multi-step reaction with 6 steps

1.1: potassium hydroxide / ethanol; water / 0.25 h / 20 °C

1.2: 0.25 h / 130 °C / Microwave irradiation

1.3: 1 h / 0 °C / pH 5

2.1: sulfuric acid; nitric acid / 1 h / -5 - 0 °C

3.1: iron; hydrogenchloride / ethanol; water / 0.75 h / 40 °C

4.1: potassium hydroxide / ethanol; water / 1 h / 20 °C

5.1: dichloromethane / 1 h / 0 - 20 °C

6.1: potassium hydroxide / ethanol; water / 2 h / 20 °C

With hydrogenchloride; sulfuric acid; nitric acid; iron; potassium hydroxide; In ethanol; dichloromethane; water;

DOI:10.1002/cmdc.201300114

upstream raw materials:

2-(4-aminobenzoyl)-N-methylhydrazinecarbothioamide

2-amino-benzenethiol

2-thioxo-3H-1,3-benzothiazole

6-nitrobenzo[d]thiazole-2(3H)-thione