3,4'-Dibromobenzophenone

Base Information

• Chemical Name: 3,4'-Dibromobenzophenone
• CAS No.: 83699-51-8
• Molecular Formula: C13H8Br2O
• Molecular Weight: 340.014
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10568106
• Wikidata: Q82454265
• Mol file: 83699-51-8.mol

Synonyms:3,4'-DIBROMOBENZOPHENONE;83699-51-8;(3-Bromophenyl)(4-bromophenyl)methanone;(3-bromophenyl)-(4-bromophenyl)methanone;MFCD00672016;3,4'-Cibromobenzophenone;SCHEMBL3838117;DTXSID10568106;AKOS009339584;F50129

Chemical Property of 3,4'-Dibromobenzophenone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 404.011°C at 760 mmHg
• Flash Point: 125.875°C
• PSA: 17.07000
• Density: 1.701g/cm³
• LogP: 4.44260
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 339.89214
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

99.0% MIN ^*data from raw suppliers

3,4'-dibromobenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)C(=O)C2=CC=C(C=C2)Br

Technology Process of 3,4'-Dibromobenzophenone

There total 7 articles about 3,4'-Dibromobenzophenone 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: 78.0%

1,4-bromoiodobenzene (589-87-7) + N,N-Boc2-3-bromobenzamide → (3-bromophenyl)-(4-bromophenyl)methanone (83699-51-8)

Guidance literature:

1,4-bromoiodobenzene; With TurboGrignard; In tetrahydrofuran; at -20 ℃; for 3h; Inert atmosphere; Schlenk technique;

N,N-Boc₂-3-bromobenzamide; In tetrahydrofuran; at -20 - 20 ℃; for 2.5h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201904678

Reference yield: 8.0%

1,3-dibromobenzene (108-36-1) + 4-bromo-N-methoxy-N-methylbenzamide (192436-83-2) → (3-bromophenyl)-(4-bromophenyl)methanone (83699-51-8)

Guidance literature:

1,3-dibromobenzene; With iodine; magnesium; In diethyl ether; at 20 - 30 ℃; Inert atmosphere;

4-bromo-N-methoxy-N-methylbenzamide; In diethyl ether; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2009.12.090

Reference yield:

3-bromofurane (22037-28-1) + divinylcarbinol (922-65-6) → bis(4-bromophenyl)methanone (3988-03-2) + (3-bromophenyl)-(4-bromophenyl)methanone (83699-51-8)

Guidance literature:

divinylcarbinol; With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at 25 ℃; for 18h; Schlenk technique; Inert atmosphere;

3-bromofurane; With magnesium iodide; In dichloromethane; at 0 ℃; for 18h; Schlenk technique; Inert atmosphere;

With sodium methylate; In methanol; dimethyl sulfoxide; at 20 ℃; for 2h; Temperature; Solvent; Reagent/catalyst;

upstream raw materials:

bromobenzene

3-bromobenzoyl chloride

3-cyanobromobenzene

1.4-dibromobenzene

Downstream raw materials:

[(3-bromophenyl)-(4-bromophenyl)ketone]thiosemicarbazone