N-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butyl)-4-(methylthio)benzamide

Base Information

• Chemical Name: N-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butyl)-4-(methylthio)benzamide
• CAS No.: 1435685-06-5
• Molecular Formula: C₂₄H₃₃N₃O₂S
• Molecular Weight: 427.611
• Mol file: 1435685-06-5.mol

Synonyms:N-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butyl)-4-(methylthio)benzamide

Chemical Property of N-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butyl)-4-(methylthio)benzamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butyl)-4-(methylthio)benzamide

There total 6 articles about N-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butyl)-4-(methylthio)benzamide 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: 79.0%

4-(methylthio)benzoic acid (13205-48-6,562836-64-0) + 4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butan-1-amine (1435684-52-8) → N-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butyl)-4-(methylthio)benzamide (1435685-06-5)

Guidance literature:

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 15h;

DOI:10.1016/j.bmc.2013.03.074

Reference yield:

tert-butyl 1,4-diazepine-1-carboxylate (112275-50-0) → N-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butyl)-4-(methylthio)benzamide (1435685-06-5)

Guidance literature:

Multi-step reaction with 5 steps

1: 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; triethylamine; potassium tert-butylate / toluene / 21 h / 110 °C

2: trifluoroacetic acid / water / 20 °C

3: potassium carbonate / acetonitrile / Reflux; Inert atmosphere

4: hydrazine hydrate / ethanol / 2 h / Reflux

5: dicyclohexyl-carbodiimide; benzotriazol-1-ol / dichloromethane / 15 h / 0 - 20 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium tert-butylate; potassium carbonate; benzotriazol-1-ol; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; hydrazine hydrate; triethylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; In ethanol; dichloromethane; water; toluene; acetonitrile;

DOI:10.1016/j.bmc.2013.03.074

Reference yield:

tert-Butyl 4-(2-methoxyphenyl)-1,4-diazepane-1-carboxylate → N-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butyl)-4-(methylthio)benzamide (1435685-06-5)

Guidance literature:

Multi-step reaction with 4 steps

1: trifluoroacetic acid / water / 20 °C

2: potassium carbonate / acetonitrile / Reflux; Inert atmosphere

3: hydrazine hydrate / ethanol / 2 h / Reflux

4: dicyclohexyl-carbodiimide; benzotriazol-1-ol / dichloromethane / 15 h / 0 - 20 °C

With potassium carbonate; benzotriazol-1-ol; hydrazine hydrate; dicyclohexyl-carbodiimide; trifluoroacetic acid; In ethanol; dichloromethane; water; acetonitrile;

DOI:10.1016/j.bmc.2013.03.074

upstream raw materials:

tert-butyl 1,4-diazepine-1-carboxylate

4-(2-methoxy-phenyl)-[1,4]diazepane-1-carboxylic acid tret-butyl ester

2-(4-(4-(2-methoxyphenyl)-1,4-diazepan-1-yl)butyl)isoindoline-1,3-dione

4-(methylthio)benzoic acid