1-(4-Bromophenyl)-2-hydroxypropan-1-one

Base Information

• Chemical Name: 1-(4-Bromophenyl)-2-hydroxypropan-1-one
• CAS No.: 145070-49-1
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• DSSTox Substance ID: DTXSID501278994
• Nikkaji Number: J587.105K
• Mol file: 145070-49-1.mol

Synonyms:1-(4-bromophenyl)-2-hydroxypropan-1-one;145070-49-1;(4-bromobenzoyl) ethanol;SCHEMBL5011661;YFHWUJCHEKDIGF-UHFFFAOYSA-N;DTXSID501278994;AKOS011305886;1-(4-Bromophenyl)-2-hydroxy-1-propanone

Chemical Property of 1-(4-Bromophenyl)-2-hydroxypropan-1-one

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(4-Bromophenyl)-2-hydroxypropan-1-one

There total 6 articles about 1-(4-Bromophenyl)-2-hydroxypropan-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: 96.3%

4'-Bromopropiophenone (10342-83-3) → (rac)-1-(4-bromophenyl)-2-hydroxypropan-1-one (145070-49-1)

Guidance literature:

4'-Bromopropiophenone; With 1-benzyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide salt; In 2-methyltetrahydrofuran; N,N-dimethyl-formamide; at 60 ℃; for 0.333333h;

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 2-methyltetrahydrofuran; N,N-dimethyl-formamide; at 60 ℃; for 2h; Reagent/catalyst; Solvent;

Reference yield: 93.0%

acetaldehyde (75-07-0,9002-91-9) + 4-bromo-benzaldehyde (1122-91-4) → (rac)-1-(4-bromophenyl)-2-hydroxypropan-1-one (145070-49-1)

Guidance literature:

With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; caesium carbonate; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1002/adsc.202100870

Reference yield: 68.0%

1-(4-bromophenyl)-1-oxopropan-2-yl formate (481632-29-5) → (rac)-1-(4-bromophenyl)-2-hydroxypropan-1-one (145070-49-1)

Guidance literature:

1-(4-bromophenyl)-1-oxopropan-2-yl formate; With sodium hydroxide; water; In methanol; for 18h;

With ammonium chloride; In methanol; water;

upstream raw materials:

4'-Bromopropiophenone

acetaldehyde

4-bromo-benzaldehyde

1-(4-bromophenyl)-1-oxopropan-2-yl formate

Downstream raw materials:

4-(4-bromophenyl)-5-methyl-1,3-dioxol-2-one

ethyl (diethylphosphonomethyl)-(4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl)phosphinate

ethyl (diethylphosphonomethyl)-(4-(5-(bromomethyl)-2-oxo-1,3-dioxol-4-yl)phenyl)phosphinate

1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methyl-4-((2-oxo-5-(4-(O-ethyl(diethylphosphonomethyl)phosphonoyl)phenyl)-1,3-dioxol-4-yl)methyl)piperazin-1-yl)-4-oxoquinoline-3-carboxylic acid