6,6-difluoro-1,4-oxazepane

Base Information

• Chemical Name: 6,6-difluoro-1,4-oxazepane
• CAS No.: 1273565-78-8
• Molecular Formula: C5H9F2NO
• Molecular Weight: 137.129
• Mol file: 1273565-78-8.mol

Synonyms:6,6-difluoro-1,4-oxazepane

Chemical Property of 6,6-difluoro-1,4-oxazepane

Chemical Property:

• PSA: 21.26000
• LogP: 0.57030

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 6,6-difluoro-1,4-oxazepane

There total 2 articles about 6,6-difluoro-1,4-oxazepane 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:

6,6-difluoro-[1,4]oxazepane-4-carboxylic acid tert-butyl ester (1605318-04-4) → 6,6-difluoro-[1,4]oxazepane (1273565-78-8)

Guidance literature:

6,6-difluoro-[1,4]oxazepane-4-carboxylic acid tert-butyl ester; With trifluoroacetic acid; In dichloromethane; for 18h;

In methanol;

Reference yield:

6-oxo-[1,4]oxazepane-4-carboxylic acid tert-butyl ester (748805-97-2) → 6,6-difluoro-[1,4]oxazepane (1273565-78-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diethylamino-sulfur trifluoride / dichloromethane

2.1: trifluoroacetic acid / dichloromethane / 18 h

2.2: NH₂ ion exchange column

With diethylamino-sulfur trifluoride; trifluoroacetic acid; In dichloromethane;

Reference yield: 14.2%

6,6-difluoro-[1,4]oxazepane (1273565-78-8) + C26H19BrFN3O2S → C31H27F3N4O3S

Guidance literature:

With chloro(2-dicyclohexylphosphino-2’,6’-diisopropoxy-1,1‘-biphenyl) [2-(2’-amino-1,1’-biphenyl)] palladium(II); caesium carbonate; ruphos; In 1,4-dioxane; at 100 ℃; for 1h;

upstream raw materials:

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

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

Refernces