2-Azido-1-(4-bromophenyl)ethanone

Base Information

• Chemical Name: 2-Azido-1-(4-bromophenyl)ethanone
• CAS No.: 71559-14-3
• Molecular Formula: C8H6BrN3O
• Molecular Weight: 240.059
• DSSTox Substance ID: DTXSID40452221
• Nikkaji Number: J917.215G
• Wikidata: Q82272705
• ChEMBL ID: CHEMBL4551945
• Mol file: 71559-14-3.mol

Synonyms:2-azido-1-(4-bromophenyl)ethanone;71559-14-3;2-azido-1-(4-bromophenyl)ethan-1-one;2-azido 4'-bromoacetophenone;CHEMBL4551945;SCHEMBL13857466;alpha-Azido-4'-bromoacetophenone;DTXSID40452221;VTHHOAOWUXSGND-UHFFFAOYSA-N;AKOS040815009;F2157-0620

Chemical Property of 2-Azido-1-(4-bromophenyl)ethanone

Chemical Property:

• PSA: 66.82000
• LogP: 2.39486
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 238.96942
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

2-Azido-1-(4-bromophenyl)ethanone 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CN=[N+]=[N-])Br

Technology Process of 2-Azido-1-(4-bromophenyl)ethanone

There total 11 articles about 2-Azido-1-(4-bromophenyl)ethanone 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: 95.0%

para-bromophenacyl bromide (99-73-0,132309-76-3) → 2-azido-1-(4-bromophenyl)ethanone (71559-14-3)

Guidance literature:

With sodium azide; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; In water; at 25 ℃; for 1h;

DOI:10.1016/S0040-4020(02)01621-6

Reference yield: 92.0%

1-bromo-4-ethenyl-benzene (2039-82-9) → 2-azido-1-(4-bromophenyl)ethanone (71559-14-3)

Guidance literature:

With sodium azide; cis-1,4-bis(triphenylphosphonium)-2-butene peroxodisulfate; oxygen; In methanol; at 0 ℃; for 1.08333h;

DOI:10.1080/00397911.2010.551701

Reference yield: 92.0%

para-bromoacetophenone (99-90-1) → 2-azido-1-(4-bromophenyl)ethanone (71559-14-3)

Guidance literature:

para-bromoacetophenone; With phenyltrimethylammonium tribromide; at 20 ℃; Ionic liquid;

With sodium azide; at 20 ℃; Ionic liquid;

upstream raw materials:

para-bromophenacyl bromide

4-chlorophenyl acetate

2-azido-1-(4-bromophenyl)ethan-1-ol

1-(4-bromophenyl)-2-chloroethan-1-one

Downstream raw materials:

4-Bromophenylethanolamine

(4‐bromophenyl)[4‐(4‐bromophenyl)‐1H‐imidazol‐2‐yl]methanone

2-azido-1-(4-bromophenyl)ethan-1-ol

Acetic acid (Z)-2-azido-1-(4-bromo-phenyl)-vinyl ester