1-(azidomethyl)-4-fluorobenzene(SALTDATA: FREE)

Base Information

• Chemical Name: 1-(azidomethyl)-4-fluorobenzene(SALTDATA: FREE)
• CAS No.: 159979-96-1
• Molecular Formula: C7H6FN3
• Molecular Weight: 151.143
• Hs Code.: 2929909090
• European Community (EC) Number: 694-417-0
• DSSTox Substance ID: DTXSID50458633
• Nikkaji Number: J1.764.042I
• Wikidata: Q82282076
• Mol file: 159979-96-1.mol

Synonyms:p-fluorobenzyl azide;p-F-benzyl azide;4-fluorobenzyl azide;1-(azidomethyl)-4-(18)fluorobenzene;p-Fluorobenzyl azide solution;Benzene,1-(azidomethyl)-4-fluoro;

Chemical Property of 1-(azidomethyl)-4-fluorobenzene(SALTDATA: FREE)

Chemical Property:

• PSA: 49.75000
• LogP: 2.08876
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.05457537
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

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

1-(Azidomethyl)-4-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 8403292
• Hazard Codes: Xn
• Statements: 40-48/20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN=[N+]=[N-])F

Technology Process of 1-(azidomethyl)-4-fluorobenzene(SALTDATA: FREE)

There total 20 articles about 1-(azidomethyl)-4-fluorobenzene(SALTDATA: FREE) 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-Fluorobenzyl bromide (459-46-1) → 4-fluorobenzyl azide (159979-96-1)

Guidance literature:

With sodium azide; In water; acetone; at 20 ℃; for 24h;

DOI:10.1039/b812403e

Reference yield: 93.0%

4-fluorobenzylic alcohol (459-56-3) → 4-fluorobenzyl azide (159979-96-1)

Guidance literature:

With 2-azido-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium hexafluorophosphate (V); 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1055/s-0031-1290958

Reference yield: 91.0%

4-fluorobenzyl methanesulfonate → 4-fluorobenzyl azide (159979-96-1)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 20 ℃; for 15h;

DOI:10.5935/0103-5053.20130121

upstream raw materials:

1-chloromethyl-4-fluorobenzene

4-Fluorobenzyl bromide

2-formyl-N,N,N-trimethylbenzenaminium triflate

C₇H₇⁽¹⁸⁾FO

Downstream raw materials:

4-fluorobenzenemethanamine hydrochloride

7-{3-[1-(4-fluorobenzyl)-1H-[1,2,3]triazol-4-yl]phenylcarbamoyl}heptanoic acid methyl ester

7-{3-[3-(4-fluorobenzyl)-3H-[1,2,3]triazol-4-yl]phenylcarbamoyl}heptanoic acid methyl ester

7-{4-[1-(4-fluorobenzyl)-1H-[1,2,3]triazol-4-yl]phenylcarbamoyl}heptanoic acid methyl ester

Refernces

• 1、 Calderwood, Samuel,Collier, Thomas Lee,Gouverneur, Véronique,Liang, Steven H.,Vasdev, Neil. "Synthesis of 18F-arenes from spirocyclic iodonium(III) ylides via continuous-flow microfluidics". . p. 249 - 253. Retrieved 2015.
• 2、 Huang, Yi,Huang, Weiwei,Yang, Guixiang,Wang, Rui,Ma, Lei. "Design and synthesis of novel diosgenin-triazole hybrids targeting inflammation as potential neuroprotective agents". . . Retrieved 2021.
• 3、 Ke, Yu,Wang, Wang,Zhao, Long-Fei,Liang, Jian-Jia,Liu, Ying,Zhang, Xiao,Feng, Kai,Liu, Hong-Min. "Design, synthesis and biological mechanisms research on 1,2,3-triazole derivatives of Jiyuan Oridonin A". . p. 4761 - 4773. Retrieved 2018.
• 4、 Bai, Chunmei,Bian, Ming,Du, Huan-Huan,Gong, Guohua,Liu, Chunyan,Ma, Qianqian,Quan, Zhe-Shan,Wei, Chengxi. "Synthesis and Evaluation of Bakuchiol Derivatives as Potent Anti-inflammatory Agents in Vitro and in Vivo". supporting information. p. 15 - 24. Retrieved 2022/01/27.
• 5、 Acharya, Badri Narayan,Ghorpade, RamaRao,Singh, Kshetra Pal,Kumar, Deo,Nayak, Sabita. "Synthesis and muscarinic acetylcholine receptor (mAChR) antagonist activity of substituted piperazine-triazoles". . p. 357 - 366. Retrieved 2021/03/16.