1-Azido-2-fluorobenzene

Base Information

• Chemical Name: 1-Azido-2-fluorobenzene
• CAS No.: 3296-04-6
• Molecular Formula: C6H4FN3
• Molecular Weight: 137.116
• Hs Code.: 2929909090
• European Community (EC) Number: 683-700-4
• DSSTox Substance ID: DTXSID80469338
• Nikkaji Number: J270.429C
• Wikidata: Q82297006
• Mol file: 3296-04-6.mol

Synonyms:1-azido-2-fluorobenzene;3296-04-6;2-fluorophenylazide;4-fluoro-3-phenyl azide;SCHEMBL15745922;DTXSID80469338;YOBOIKMFTLTNTR-UHFFFAOYSA-N;AKOS000118000;LS-12249;EN300-27641;F2157-0464

Chemical Property of 1-Azido-2-fluorobenzene

Chemical Property:

• PSA: 49.75000
• LogP: 2.22026
• Storage Temp.: ?20°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.03892530
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

98%Min ^*data from raw suppliers

1-Azido-2-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-38-48/23/24/25
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-Azido-2-fluorobenzene

There total 8 articles about 1-Azido-2-fluorobenzene 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: 100.0%

2-Fluoroaniline (348-54-9) → 1-azido-2-fluorobenzene (3296-04-6)

Guidance literature:

With tert.-butylnitrite; trimethylsilylazide; In acetonitrile; at 0 - 20 ℃; for 2h;

DOI:10.1021/acs.jmedchem.1c01049

Reference yield: 99.0%

→ 1-azido-2-fluorobenzene (3296-04-6)

Guidance literature:

Reference yield: 75.0%

1-Fluoro-2-iodobenzene (348-52-7) → 1-azido-2-fluorobenzene (3296-04-6)

Guidance literature:

With copper(l) iodide; sodium azide; L-proline; sodium hydroxide; In dimethyl sulfoxide; at 70 ℃; for 24h;

DOI:10.1039/b400878b

upstream raw materials:

2-Fluoroaniline

1-Fluoro-2-iodobenzene

(2-fluorophenyl)hydrazine hydrochloride

o-fluorophenylboronic acid

Downstream raw materials:

1-(2-fluorophenyl)-5-methyl-4-trimethylsilyl-1H-[1,2,3]triazole

1-(2-fluorophenyl)-4-phenyl-1H-1,2,3-triazole

Refernces

• 1、 Awolade, Paul,Cele, Nosipho,Kerru, Nagaraju,Singh, Parvesh. "Synthesis, antimicrobial evaluation, and in silico studies of quinoline—1H-1,2,3-triazole molecular hybrids". . p. 2201 - 2218. Retrieved 2020/06/17.
• 2、 Ciupak, Olga,Da?ko, Mateusz,Biernacki, Karol,Rachon, Janusz,Mas?yk, Maciej,Kubiński, Konrad,Martyna, Aleksandra,Demkowicz, Sebastian. "New potent steroid sulphatase inhibitors based on 6-(1-phenyl-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate derivatives". . p. 238 - 247. Retrieved 2020/12/18.