1-(2-hydroxy-4-methyl benzyl)azepan-2-one

Base Information

• Chemical Name: 1-(2-hydroxy-4-methyl benzyl)azepan-2-one
• CAS No.: 1400992-11-1
• Molecular Formula: C₁₄H₁₉NO₂
• Molecular Weight: 233.31
• Mol file: 1400992-11-1.mol

Synonyms:

Chemical Property of 1-(2-hydroxy-4-methyl benzyl)azepan-2-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-(2-hydroxy-4-methyl benzyl)azepan-2-one

There total 2 articles about 1-(2-hydroxy-4-methyl benzyl)azepan-2-one 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: 45.0%

caprolactam (105-60-2,9012-16-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-methyl-phenol (108-39-4) → 1-(2-hydroxy-4-methyl benzyl)azepan-2-one (1400992-11-1) + 1-(2-hydroxy-6-methyl benzyl)azepan-2-one (1400992-12-2)

Guidance literature:

With perchloric acid adsorbed on silica gel; In acetonitrile; at 80 ℃; for 6h; regioselective reaction;

DOI:10.1021/jo3017132

Reference yield:

vinylcaprolactam (2235-00-9,25189-83-7) → 1-(2-hydroxy-4-methyl benzyl)azepan-2-one (1400992-11-1) + 1-(2-hydroxy-6-methyl benzyl)azepan-2-one (1400992-12-2)

Guidance literature:

Multi-step reaction with 2 steps

1: perchloric acid adsorbed on silica gel / acetonitrile / 2 h / 80 °C

2: perchloric acid adsorbed on silica gel / acetonitrile / 6 h / 80 °C

With perchloric acid adsorbed on silica gel; In acetonitrile; 2: |Mannich Aminomethylation;

DOI:10.1021/jo3017132

upstream raw materials:

caprolactam

formaldehyd

3-methyl-phenol

vinylcaprolactam

Refernces