1-Azido-4-fluorobenzene

Base Information

• Chemical Name: 1-Azido-4-fluorobenzene
• CAS No.: 3296-02-4
• Molecular Formula: C6H4FN3
• Molecular Weight: 137.116
• Hs Code.: 2929909090
• European Community (EC) Number: 663-390-7
• DSSTox Substance ID: DTXSID20447110
• Nikkaji Number: J270.431E
• Wikidata: Q82265905
• ChEMBL ID: CHEMBL3236177
• Mol file: 3296-02-4.mol

Synonyms:1-azido-4-fluorobenzene;3296-02-4;1-azido-4-fluoro-benzene;4-fluorophenylazide;p-fluorophenyl azide;4-Fluorophenyl azide;CHEMBL3236177;SCHEMBL13754459;DTXSID20447110;VHFLTICYUZLEII-UHFFFAOYSA-N;STL192402;AKOS009325426;EN300-85102;1-Azido-4-fluorobenzene 0.5 M in tert-butyl methyl ether

Chemical Property of 1-Azido-4-fluorobenzene

Chemical Property:

• Boiling Point: 35-36 °C(Press: 4 Torr)
• Flash Point: -33℃
• PSA: 49.75000
• Density: 1.2232 g/cm3
• LogP: 2.22026
• Storage Temp.: ?20°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.03892530
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Azido-4-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1939307
• 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(=CC=C1N=[N+]=[N-])F

Technology Process of 1-Azido-4-fluorobenzene

There total 14 articles about 1-Azido-4-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%

4-fluoroaniline (371-40-4) → p-azidofluorobenzene (3296-02-4)

Guidance literature:

With tert.-butylnitrite; trimethylsilylazide; In acetonitrile; at 0 - 20 ℃; for 1h;

DOI:10.1039/c3cc43838d

Reference yield: 94.0%

4-fluoro-1-iodobenzene (352-34-1) → p-azidofluorobenzene (3296-02-4)

Guidance literature:

With sodium azide; sodium carbonate; L-proline; In water; acetone; at 60 ℃; for 8h;

Reference yield: 78.0%

4-fluoroboronic acid (1765-93-1) → p-azidofluorobenzene (3296-02-4)

Guidance literature:

With sodium azide; copper(II) ferrite; In water; at 20 ℃; for 7h;

DOI:10.1002/ejoc.201300343

upstream raw materials:

p-Fluorophenyl-lead triacetate

4-fluoroaniline

p-fluoroaniline hydrochloride

4-fluorophenyhydrazine hydrochloride

Downstream raw materials:

4-[3-(4-fluoro-phenyl)-5-methyl-4,5-dihydro-3H-[1,2,3]triazol-4-yl]-morpholine

4-fluoroaniline

4'-fluoroacetanilide

1-(4-fluorophenyl)-5-phenyl-1H-1,2,3-triazole

Refernces

• 1、 Chiarelli, Laurent R.,Fan, Dongguang,Han, Quanquan,Lu, Yu,Qiao, Chunhua,Shi, Rui,Stelitano, Giovanni,Wang, Bin,Huszár, Stanislav,Miku?ová, Katarína,Savková, Karin. "Structural and Activity Relationships of 6-Sulfonyl-8-Nitrobenzothiazinones as Antitubercular Agents". supporting information. p. 14526 - 14539. Retrieved 2021/10/26.
• 2、 Tang, Kai-Wei,Hsu, Wen-Li,Chen, Cheng-Ru,Tsai, Ming-Hsien,Yen, Chia-Jung,Tseng, Chih-Hua. "Discovery of triazolyl thalidomide derivatives as anti-fibrosis agents". . p. 3589 - 3599. Retrieved 2021/03/03.