1-(Azidomethyl)-3-fluorobenzene

Base Information

• Chemical Name: 1-(Azidomethyl)-3-fluorobenzene
• CAS No.: 159979-97-2
• Molecular Formula: C7H6FN3
• Molecular Weight: 151.143
• Hs Code.: 2929909090
• European Community (EC) Number: 800-719-7
• DSSTox Substance ID: DTXSID00655817
• Wikidata: Q82570114
• Mol file: 159979-97-2.mol

Synonyms:1-(azidomethyl)-3-fluorobenzene;3-fluorobenzyl azide;159979-97-2;1-azidomethyl-3-fluorobenzene;SCHEMBL13855839;DTXSID00655817;BMKYIDKVBAKRAK-UHFFFAOYSA-N;MFCD11637146;STL197583;AKOS005173580;LS-03844;FT-0683544;EN300-49507;F1901-0277

Chemical Property of 1-(Azidomethyl)-3-fluorobenzene

Chemical Property:

• PSA: 49.75000
• LogP: 2.08876
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.05457537
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

1-(Azidomethyl)-3-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Azidomethyl)-3-fluorobenzene

There total 8 articles about 1-(Azidomethyl)-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: 99.7%

1-(Bromomethyl)-3-fluorobenzene (456-41-7) → 3-fluorobenzylazide (159979-97-2)

Guidance literature:

With sodium azide; In water; tert-butyl alcohol;

DOI:10.3390/molecules24050973

Reference yield: 65.0%

o-fluorobenzyl bromide (446-48-0) → 3-fluorobenzylazide (159979-97-2)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1002/ejoc.201200695

Reference yield: 39.0%

m-Fluorotoluene (352-70-5) → 3-fluorobenzylazide (159979-97-2)

Guidance literature:

With Cu(2,9-bis(panisyl)-1,10-phenanthroline)₂Cl; 1-azido-1λ³-benzo[d][1,2]iodaoxol-3(1H)-one; In acetonitrile; at 20 ℃; for 16h; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.6b00512

upstream raw materials:

1-(Bromomethyl)-3-fluorobenzene

o-fluorobenzyl bromide

m-Fluorotoluene

m-fluorobenzyl chloride

Downstream raw materials:

ethyl 3-amino-1-{2-{{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methoxy}phenyl}-5,10-dihydro-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate

ethyl 3-amino-1-{5-bromo-2-{{1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methoxy}phenyl}-5,10-dihydro-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate

C₂₆H₃₂FN₅O₄S

C₂₅H₂₈F₃N₇O