1-Acetyl-2,3,5,6-tetrafluoro-4-azidobenzene

Base Information

• Chemical Name: 1-Acetyl-2,3,5,6-tetrafluoro-4-azidobenzene
• CAS No.: 122590-76-5
• Molecular Formula: C8H3F4N3O
• Molecular Weight: 233.125
• DSSTox Substance ID: DTXSID401252460
• Nikkaji Number: J323.720F
• Mol file: 122590-76-5.mol

Synonyms:122590-76-5;DTXSID401252460;1-Acetyl-2,3,5,6-tetrafluoro-4-azidobenzene;1-(4-azido-2,3,5,6-tetrafluorophenyl)ethanone;1-(4-Azido-2,3,5,6-tetrafluoro-phenyl)-ethanone

Chemical Property of 1-Acetyl-2,3,5,6-tetrafluoro-4-azidobenzene

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 233.02122438
• Heavy Atom Count: 16
• Complexity: 317

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F

Technology Process of 1-Acetyl-2,3,5,6-tetrafluoro-4-azidobenzene

There total 1 articles about 1-Acetyl-2,3,5,6-tetrafluoro-4-azidobenzene 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: 85.0%

2',3',4',5',6'-pentafluoroacetophenone (652-29-9) → 4'-azido-2',3',5',6'-tetrafluoroacetophenone (122590-76-5)

Guidance literature:

With sodium azide; In water; acetone; at 70 ℃; for 0.25h; Reflux; Microwave irradiation;

DOI:10.1016/j.jfluchem.2013.10.002

Reference yield: 71.0%

4'-azido-2',3',5',6'-tetrafluoroacetophenone (122590-76-5) → α-bromo-4-azido-2,3,5,6-tetrafluoroacetophenone (126695-62-3) + 1-(4-azidotetrafluorophenyl)-2,2-dibromoethanone

Guidance literature:

With bromine; In diethyl ether; at 25 ℃; for 4h; Yields of byproduct given;

DOI:10.1021/jo00298a048

Reference yield: 39.0%

R-16α,17-dihydroxy-pregn-4-ene-3,20-dione (595-77-7) + 4'-azido-2',3',5',6'-tetrafluoroacetophenone (122590-76-5) → 16α,17α-<(R)-1'-(4'-azido-2',3',5',6'-tetrafluorophenyl)(ethylenedioxy)>pregn-4-ene-3,20-dione

Guidance literature:

With perchloric acid; In dichloromethane; at 23 ℃; for 100h;

DOI:10.1021/jm00061a001

upstream raw materials:

2',3',4',5',6'-pentafluoroacetophenone

Downstream raw materials:

α-bromo-4-azido-2,3,5,6-tetrafluoroacetophenone