1-(4-Bromophenyl)-2-iodoethanone

Base Information

• Chemical Name: 1-(4-Bromophenyl)-2-iodoethanone
• CAS No.: 81585-72-0
• Molecular Formula: C8H6BrIO
• Molecular Weight: 324.944
• DSSTox Substance ID: DTXSID30437062
• Nikkaji Number: J475.511A
• Wikidata: Q82252429
• ChEMBL ID: CHEMBL1801611
• Mol file: 81585-72-0.mol

Synonyms:1-(4-bromophenyl)-2-iodoethanone;CHEMBL1801611;81585-72-0;SCHEMBL6788006;4'-Bromo-alpha-iodoacetophenone;DTXSID30437062;BDBM50347508;PD136231

Chemical Property of 1-(4-Bromophenyl)-2-iodoethanone

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 323.86467
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CI)Br

Technology Process of 1-(4-Bromophenyl)-2-iodoethanone

There total 10 articles about 1-(4-Bromophenyl)-2-iodoethanone 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%

1-bromo-4-(iodoethynyl)benzene (934-95-2) → 1-(4-bromo-phenyl)-2-iodo-ethanone (81585-72-0)

Guidance literature:

With water; copper(II) acetate monohydrate; trifluoroacetic acid; at 70 ℃; for 6h; chemoselective reaction;

DOI:10.1002/ejoc.201501198

Reference yield: 95.0%

para-bromophenacyl bromide (99-73-0,132309-76-3) → 1-(4-bromo-phenyl)-2-iodo-ethanone (81585-72-0)

Guidance literature:

With sodium iodide; In acetone;

DOI:10.1002/hc.10121

Reference yield: 94.0%

C8H6BrOPolSe → 1-(4-bromo-phenyl)-2-iodo-ethanone (81585-72-0)

Guidance literature:

With sodium iodide; methyl iodide; In N,N-dimethyl-formamide; at 75 ℃; Inert atmosphere; solid phase reaction;

DOI:10.3184/174751912X13280376652307

upstream raw materials:

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

para-bromophenacyl bromide

para-bromoacetophenone

4-bromo-1-ethynylbenzene

Downstream raw materials:

2,4-bis(4-bromophenyl)furan

para-bromoacetophenone

(5-bromo-1-benzofuran-2-yl)(4-bromophenyl)methanone

ethyl (E)-2-benzoyl-4-(4-bromophenyl)-4-oxobut-2-enoate