tert-butyl 6-Methylene-1,4-oxazepane-4-carboxylate

Base Information

• Chemical Name: tert-butyl 6-Methylene-1,4-oxazepane-4-carboxylate
• CAS No.: 748805-96-1
• Molecular Formula: C₁₁H₁₉NO₃
• Molecular Weight: 213.277
• Hs Code.: 2934999090
• Mol file: 748805-96-1.mol

Synonyms:tert-butyl 6-Methylene-1,4-oxazepane-4-carboxylate;4-Boc-6-methylene-1,4-oxazepane

Chemical Property of tert-butyl 6-Methylene-1,4-oxazepane-4-carboxylate

Chemical Property:

• PSA: 38.77000
• LogP: 1.74780

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl6-Methylene-1,4-oxazepane-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-butyl 6-Methylene-1,4-oxazepane-4-carboxylate

There total 2 articles about tert-butyl 6-Methylene-1,4-oxazepane-4-carboxylate 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: 51.0%

2-chloromethyl-3-chloroprop-1-ene (1871-57-4) + 2-(N-tert-butoxycarbonylamino)ethanol (26690-80-2) → tert-butyl 6-methylidene-1,4-oxazepan-4-carboxylate (748805-96-1)

Guidance literature:

2-(N-tert-butoxycarbonylamino)ethanol; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

2-chloromethyl-3-chloroprop-1-ene; In N,N-dimethyl-formamide; at 0 - 15 ℃; for 2h; Temperature;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 6-methylidene-1,4-oxazepan-4-carboxylate (748805-96-1)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 12 h / 20 - 25 °C

2: sodium hydride / N,N-dimethyl-formamide / 12.5 h / -20 - 25 °C

With sodium hydride; In dichloromethane; N,N-dimethyl-formamide;

Reference yield: 86.07%

tert-butyl 6-methylidene-1,4-oxazepan-4-carboxylate (748805-96-1) → 6-oxo-[1,4]oxazepane-4-carboxylic acid tert-butyl ester (748805-97-2)

Guidance literature:

With 2,6-dimethylpyridine; sodium periodate; ruthenium(III) chloride trihydrate; In dichloromethane; water; acetonitrile; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2018.11.013

upstream raw materials:

2-chloromethyl-3-chloroprop-1-ene

2-(N-tert-butoxycarbonylamino)ethanol

di-tert-butyl dicarbonate

Downstream raw materials:

6-oxo-[1,4]oxazepane-4-carboxylic acid tert-butyl ester

tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate

C₂₀H₂₃Cl₂FN₆O₂

1-(4-(6-amino-5-fluoropyrimidin-4-yl)-1,4-oxazepan-6-yl)-3-(3-chloro-5-fluorophenylamino)piperidin-2-one