3-(4-Fluoro-phenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole

Base Information

• Chemical Name: 3-(4-Fluoro-phenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole
• CAS No.: 104369-92-8
• Molecular Formula: C₁₂H₁₂FNO₃
• Molecular Weight: 237.231
• Mol file: 104369-92-8.mol

Synonyms:3-(4-Fluoro-phenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole

Chemical Property of 3-(4-Fluoro-phenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(4-Fluoro-phenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole

There total 4 articles about 3-(4-Fluoro-phenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole 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: 40.0%

1,3-dioxa-5-cycloheptene (5417-32-3) + 4-fluoro-N-hydroxybenzimidoyl chloride (42202-95-9) → 8-(4-fluorophenyl)-3,5,10-trioxa-9-azabicyclo<5,3,0>dec-8-ene (104369-92-8)

Guidance literature:

With triethylamine; In diethyl ether; 1. 0 to 5 deg C; 2. room temperature;

Reference yield: 30.0%

1,3-dioxa-5-cycloheptene (5417-32-3) + 4-fluoro-N-hydroxybenzimidoyl chloride (42202-95-9) → 3-(4-Fluoro-phenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole (104369-92-8)

Guidance literature:

With triethylamine; In chloroform; at 0 - 20 ℃; for 48h;

DOI:10.1016/j.molstruc.2019.04.121

Reference yield:

4-fluorobenzaldoxime (459-23-4,7304-35-0) → 3-(4-Fluoro-phenyl)-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d]isoxazole (104369-92-8)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorine

2: triethylamine / chloroform / 48 h / 0 - 20 °C

With chlorine; triethylamine; In chloroform;

DOI:10.1016/j.molstruc.2019.04.121

upstream raw materials:

1,3-dioxa-5-cycloheptene

4-fluoro-N-hydroxybenzimidoyl chloride

4-fluorobenzaldoxime

Downstream raw materials:

6-(4-fluorophenyl)-7-formyl-2,4,5,8-tetrahydro-1,3-dioxa-5-azocine

3-tert-Butyl-6-(4-fluoro-phenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carbaldehyde