2-Bromo-1-(5-bromo-1-benzofuran-2-yl)-1-ethanone

Base Information

• Chemical Name: 2-Bromo-1-(5-bromo-1-benzofuran-2-yl)-1-ethanone
• CAS No.: 7039-76-1
• Molecular Formula: C10H6 Br2 O2
• Molecular Weight: 317.964
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70383756
• Nikkaji Number: J1.834.700H
• Wikidata: Q82175549
• Mol file: 7039-76-1.mol

Synonyms:7039-76-1;2-Bromo-1-(5-bromo-1-benzofuran-2-yl)-1-ethanone;2-bromo-1-(5-bromo-1-benzofuran-2-yl)ethanone;2-bromo-1-(5-bromobenzofuran-2-yl)ethanone;2-Bromo-(5-bromo-1-benzofuran-2-yl)ethan-1-one;5-Bromo-2-bromoacetyl-1-benzofuran;Benzene, 1-fluoro-3-nitroso-;SCHEMBL3721823;DTXSID70383756;TQR0048;MFCD06658982;AKOS005216595;1-(5-Bromo-2-benzofuryl)-2-bromoethanone;CS-0319537;FT-0751381;Ethanone,2-bromo-1-(5-bromo-2-benzofuranyl)-;2-Bromo-1-(5-bromobenzofuran-2-yl)ethan-1-one;J-508155;2-Bromo-1-(5-bromo-1-benzofuran-2-yl)ethan-1-one;2-BROMO-1-(5-BROMO-1-benzo[b]furan-2-YL)-1-ETHANONE

Chemical Property of 2-Bromo-1-(5-bromo-1-benzofuran-2-yl)-1-ethanone

Chemical Property:

• Vapor Pressure: 2.16E-05mmHg at 25°C
• Melting Point: 140oC
• Boiling Point: 360.9oC at 760 mmHg
• Flash Point: 172oC
• PSA: 30.21000
• Density: 1.901g/cm3
• LogP: 3.77290
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 317.87141
• Heavy Atom Count: 14
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-(5-bromo-1-benzofuran-2-yl)ethan-1-one 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C=C(O2)C(=O)CBr

Technology Process of 2-Bromo-1-(5-bromo-1-benzofuran-2-yl)-1-ethanone

There total 3 articles about 2-Bromo-1-(5-bromo-1-benzofuran-2-yl)-1-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: 79.0%

2-acetyl-5-bromobenzo[b]furan (38220-75-6) → 2-bromo-1-(5-bromo-1-benzofuran-2-yl)ethanone (7039-76-1)

Guidance literature:

With bromine; In carbon disulfide; for 2h;

DOI:10.1002/jhet.5570190111

Reference yield:

5-bromosalicyclaldehyde (1761-61-1) → 2-bromo-1-(5-bromo-1-benzofuran-2-yl)ethanone (7039-76-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 37 percent / ethanolic KOH / overnight

2: 79 percent / Br₂ / CS₂ / 2 h

With potassium hydroxide; bromine; In carbon disulfide;

DOI:10.1002/jhet.5570190111

Reference yield:

5-bromosalicyclaldehyde (1761-61-1) → 2-bromo-1-(5-bromo-1-benzofuran-2-yl)ethanone (7039-76-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / potassium hydroxide / methanol / 2 h / Heating

2: Br₂

With potassium hydroxide; bromine; In methanol;

DOI:10.1016/S0957-4166(03)00222-2

upstream raw materials:

2-acetyl-5-bromobenzo[b]furan

5-bromosalicyclaldehyde

Downstream raw materials:

3-(5-bromobenzofuran-2-yl)-3-oxopropanenitrile

Refernces

• 1、 Abdelrahman, Mohamed A.,Eldehna, Wagdy M.,Nocentini, Alessio,Ibrahim, Hany S.,Almahli, Hadia,Abdel-Aziz, Hatem A.,Abou-Seri, Sahar M.,Supuran, Claudiu T.. "Novel benzofuran-based sulphonamides as selective carbonic anhydrases IX and XII inhibitors: synthesis and in vitro biological evaluation". . p. 298 - 305. Retrieved 2019/12/24.
• 2、 Salem, Mostafa E.,Darweesh, Ahmed F.,Elwahy, Ahmed H. M.. "2-Mercapto-4,6-disubstituted nicotinonitriles: versatile precursors for novel mono- and bis[thienopyridines]". . p. 525 - 543. Retrieved 2018/05/15.