1,2-Bis(2-bromophenyl)-2-hydroxyethan-1-one

Base Information

• Chemical Name: 1,2-Bis(2-bromophenyl)-2-hydroxyethan-1-one
• CAS No.: 61592-98-1
• Molecular Formula: C14H10Br2O2
• Molecular Weight: 370.04
• DSSTox Substance ID: DTXSID60576771
• Nikkaji Number: J2.679.542G
• Mol file: 61592-98-1.mol

Synonyms:61592-98-1;Ethanone, 1,2-bis(2-bromophenyl)-2-hydroxy-;1,2-bis(2-bromophenyl)-2-hydroxyethanone;1,2-Bis(2-bromophenyl)-2-hydroxyethan-1-one;DTXSID60576771

Chemical Property of 1,2-Bis(2-bromophenyl)-2-hydroxyethan-1-one

Chemical Property:

• Melting Point: 76-78 °C
• Boiling Point: 464.8±40.0 °C(Predicted)
• PSA: 37.30000
• Density: 1.743±0.06 g/cm3(Predicted)
• LogP: 4.12790
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 369.90271
• Heavy Atom Count: 18
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(C(=O)C2=CC=CC=C2Br)O)Br

Technology Process of 1,2-Bis(2-bromophenyl)-2-hydroxyethan-1-one

There total 3 articles about 1,2-Bis(2-bromophenyl)-2-hydroxyethan-1-one 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: 92.0%

isobutyraldehyde (78-84-2) + ortho-bromobenzaldehyde (6630-33-7) → 1-(2-bromophenyl)-1-hydroxy-3-methylbutan-2-one (1256164-82-5) + 1,2-bis(2-bromophenyl)-2-hydroxyethan-1-one (61592-98-1)

Guidance literature:

With 2-pentafluorophenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; caesium carbonate; In m-xylene; at 20 ℃; for 24h; chemoselective reaction; Inert atmosphere;

DOI:10.1039/c3ob42486c

Reference yield: 64.0%

ortho-bromobenzaldehyde (6630-33-7) → 1,2-bis(2-bromophenyl)-2-hydroxyethan-1-one (61592-98-1)

Guidance literature:

With C₄₃H₄₈N₆⁽²⁺⁾*2Br^(1-); potassium tert-butylate; In 1,4-dioxane; at 20 ℃; for 20h; Inert atmosphere; Schlenk technique;

DOI:10.1007/s12039-015-0837-7

Reference yield:

3-phenyl-propionaldehyde (104-53-0) + ortho-bromobenzaldehyde (6630-33-7) → C16H15BrO2 (1256164-63-2) + 1-(2-bromophenyl)-1-hydroxy-4-phenyl-butan-2-one (1256164-64-3) + 1,2-bis(2-bromophenyl)-2-hydroxyethan-1-one (61592-98-1)

Guidance literature:

With rubidium carbonate; 2-pentafluorophenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; In tetrahydrofuran; at 20 ℃; for 40h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/jo101791w

upstream raw materials:

ortho-bromobenzaldehyde

3-phenyl-propionaldehyde

isobutyraldehyde

Downstream raw materials:

(1RS,2SR)-1,2-bis(2-bromophenyl)ethane-1,2-diol

1,2-bis[(2-bromophenyl)]-2-chloroethanone

⁽²⁾-benzopyrano(4,3-c)-⁽²⁾benzopyrano-6,12-dione

Biphthalidyliden