4-Azido-2,3,5,6-tetrafluorobenzamide

Base Information

• Chemical Name: 4-Azido-2,3,5,6-tetrafluorobenzamide
• CAS No.: 122616-98-2
• Molecular Formula: C7H2F4N4O
• Molecular Weight: 234.113
• DSSTox Substance ID: DTXSID10404318
• Nikkaji Number: J323.729J
• Wikidata: Q82208443
• Mol file: 122616-98-2.mol

Synonyms:4-azido-2,3,5,6-tetrafluorobenzamide;122616-98-2;Benzamide, 4-azido-2,3,5,6-tetrafluoro-;DTXSID10404318;AKOS025294197;FT-0662433

Chemical Property of 4-Azido-2,3,5,6-tetrafluorobenzamide

Chemical Property:

• Appearance/Colour: white solid
• Melting Point: 160-162 °C
• PSA: 93.83000
• LogP: 2.62066
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 234.01647335
• Heavy Atom Count: 16
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

4-Azido-2,3,5,6-tetrafluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Azido-2,3,5,6-tetrafluorobenzamide

There total 2 articles about 4-Azido-2,3,5,6-tetrafluorobenzamide 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: 83.0%

2,3,4,5,6-pentafluorobenzamide (652-31-3) → 4-azidotetrafluorobenzamide (122616-98-2)

Guidance literature:

With sodium azide; In water; acetone; for 8h; Heating;

DOI:10.1021/jo00298a048

Reference yield: 18.0%

Pentafluorobenzonitrile (773-82-0) → 4-azidotetrafluorobenzamide (122616-98-2)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; at 25 ℃; for 40h;

DOI:10.1021/jo00298a048

Reference yield: 78.5%

4-azidotetrafluorobenzamide (122616-98-2) + bis-diphenylphosphinomethane (2071-20-7) → (NH2OC)C6F4NP(C6H5)2CH2P(C6H5)2 (215873-27-1)

Guidance literature:

In toluene; for 3h;

DOI:10.1021/ja9802403

upstream raw materials:

Pentafluorobenzonitrile

2,3,4,5,6-pentafluorobenzamide

Downstream raw materials:

4-azido-2,3,5,6-tetrafluorobenzoic acid

2-amino-4-azido-3,5,6-trifluorobenzamide

C₇HCl₂F₄N₄OPS

(NH₂OC)C₆F₄NP(C₆H₅)2CH₂P(C₆H₅)2