1-(Azidomethyl)-2-bromobenzene

Base Information

• Chemical Name: 1-(Azidomethyl)-2-bromobenzene
• CAS No.: 126799-87-9
• Molecular Formula: C7H6BrN3
• Molecular Weight: 212.049
• DSSTox Substance ID: DTXSID10562164
• Nikkaji Number: J258.321F
• Wikidata: Q82446203
• Mol file: 126799-87-9.mol

Synonyms:1-(azidomethyl)-2-bromobenzene;126799-87-9;Benzene, 1-(azidomethyl)-2-bromo-;1-azidomethyl-2-bromobenzene;SCHEMBL23293650;DTXSID10562164;UQTIJSCAOJIGQZ-UHFFFAOYSA-N;BFA79987;MFCD11637159;AKOS009452023;EN300-82284;G60617;F2157-0589

Chemical Property of 1-(Azidomethyl)-2-bromobenzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 210.97451
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Azidomethyl)-2-bromobenzene

There total 10 articles about 1-(Azidomethyl)-2-bromobenzene 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: 96.0%

o-bromobenzyl alcohol (18982-54-2) → o-bromobenzyl azide (126799-87-9)

Guidance literature:

With N-methylimidazolium tetrafluoroborate; sodium azide; at 100 ℃; for 3h; Green chemistry;

DOI:10.1002/jccs.201400046

Reference yield: 94.0%

1-Bromo-2-bromomethyl-benzene (3433-80-5) → o-bromobenzyl azide (126799-87-9)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

DOI:10.3987/COM-09-S(S)65

Reference yield: 81.0%

2-methylphenyl bromide (95-46-5) → o-bromobenzyl azide (126799-87-9)

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-Bromo-2-bromomethyl-benzene

o-bromobenzyl alcohol

bromobenzene

2-methylphenyl bromide

Downstream raw materials:

di-tert-butyl 1-(2-bromobenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate

dimethyl 1-(2-bromobenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate

ethyl 1-(2-bromobenzyl)-1H-1,2,3-triazole-4-carboxylate

2-bromo-N-methylaniline