1-Azido-3-fluorobenzene

Base Information

• Chemical Name: 1-Azido-3-fluorobenzene
• CAS No.: 3296-03-5
• Molecular Formula: C6H4FN3
• Molecular Weight: 137.116
• Hs Code.: 2929909090
• European Community (EC) Number: 683-698-5
• DSSTox Substance ID: DTXSID60396779
• Nikkaji Number: J270.430G
• Wikidata: Q82197675
• Mol file: 3296-03-5.mol

Synonyms:1-azido-3-fluorobenzene;3296-03-5;3-Fluorophenyl azide;SCHEMBL20395648;DTXSID60396779;MQFLRDDKIIPOFC-UHFFFAOYSA-N;MFCD00962284;AKOS000117956;BS-13207;EN300-27588;J-018949;F2157-0465;1-Azido-3-fluorobenzene 0.5 M in tert-butyl methyl ether

Chemical Property of 1-Azido-3-fluorobenzene

Chemical Property:

• Boiling Point: 31-32 °C(Press: 3 Torr)
• Flash Point: -33°C
• PSA: 49.75000
• Density: 1.218 g/cm3
• 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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Azido-3-fluorobenzene

There total 7 articles about 1-Azido-3-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%

meta-fluoroaniline (372-19-0) → 3-fluorophenylazide (3296-03-5)

Guidance literature:

meta-fluoroaniline; With hydrogenchloride; In ethanol; water; at 0 - 20 ℃;

With sodium nitrite; In ethanol; water; at 0 ℃; for 0.25h;

With sodium azide; In ethanol; water; at 0 ℃; for 1h;

DOI:10.1002/asia.201701277

Reference yield: 85.0%

1-Fluoro-3-iodobenzene (1121-86-4) → 3-fluorophenylazide (3296-03-5)

Guidance literature:

With copper(l) iodide; sodium azide; L-proline; sodium hydroxide; In dimethyl sulfoxide; at 60 ℃; for 10h;

DOI:10.1039/b400878b

Reference yield:

3-fluorophenylhydrazine hydrochloride (2924-16-5,50702-51-7) → 3-fluorophenylazide (3296-03-5)

Guidance literature:

With hydrogenchloride; water; sodium nitrite; In diethyl ether; at 0 ℃; for 3h;

DOI:10.1016/j.bmc.2008.09.060

upstream raw materials:

meta-fluoroaniline

1-Fluoro-3-iodobenzene

3-fluorophenylhydrazine hydrochloride

3-fluorophenyldiazonium chloride

Downstream raw materials:

trans-[PtCl(NH(3-F-C₆H₄))(P(C₂H₅)3)2]

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、 Zhang, Yi,Zhang, Ting-jian,Li, Xin-yang,Liang, Jing-wei,Tu, Shun,Xu, Hai-li,Xue, Wen-han,Qian, Xin-hua,Zhang, Zhen-hao,Zhang, Xu,Meng, Fan-hao. "2-((1-Phenyl-1H-1,2,3-triazol-4-yl)methyl)-2-azabicyclo[3.2.1]octan-3-one derivatives: Simplification and modification of aconitine scaffold for the discovery of novel anticancer agents". . . Retrieved 2020/11/20.