ethyl azepan-1-ylacetate

Base Information

• Chemical Name: ethyl azepan-1-ylacetate
• CAS No.: 99176-11-1
• Molecular Formula: C₁₀H₁₉NO₂
• Molecular Weight: 185.266
• Hs Code.: 2933990090
• Mol file: 99176-11-1.mol

Synonyms:ethyl azepan-1-ylacetate;1H-azepine-1-acetic acid, hexahydro-, ethyl ester;2-(1-azepanyl)acetic acid ethyl ester;2-(azepan-1-yl)acetic acid ethyl ester;ethyl 2-(azepan-1-yl)ethanoate

Chemical Property of ethyl azepan-1-ylacetate

Chemical Property:

• PSA: 29.54000
• LogP: 1.36340

Purity/Quality:

98%min ^*data from raw suppliers

EthylAzepan-1-ylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ethyl azepan-1-ylacetate

There total 2 articles about ethyl azepan-1-ylacetate 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: 94.0%

hexamethylene imine (111-49-9) + ethyl bromoacetate (105-36-2) → ethyl 2-(azepan-1-yl)acetate (99176-11-1)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1021/jacs.7b05619

Reference yield:

hexamethylene imine (111-49-9) + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(azepan-1-yl)acetate (99176-11-1)

Guidance literature:

With benzene;

Reference yield:

ethyl 2-(azepan-1-yl)acetate (99176-11-1) → 4-nitrophenyl 2-(azepan-1-yl)acetate hydrochloride

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / water / 16 h / Reflux

2.1: triethylamine / dichloromethane / 0.17 h / 0 °C

2.2: 5 h / 0 - 20 °C

With hydrogenchloride; triethylamine; In dichloromethane; water;

DOI:10.1021/jacs.7b05619

upstream raw materials:

hexamethylene imine

chloroacetic acid ethyl ester

ethyl bromoacetate

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