1-(2-Bromophenyl)-2-methylpropan-1-one

Base Information

• Chemical Name: 1-(2-Bromophenyl)-2-methylpropan-1-one
• CAS No.: 209223-84-7
• Molecular Formula: C10H11BrO
• Molecular Weight: 227.101
• European Community (EC) Number: 832-547-3
• DSSTox Substance ID: DTXSID30606418
• Nikkaji Number: J1.200.453B
• Wikidata: Q82505165
• Mol file: 209223-84-7.mol

Synonyms:1-(2-Bromophenyl)-2-methylpropan-1-one;209223-84-7;1-Propanone, 1-(2-bromophenyl)-2-methyl-;bromophenyl isopropyl ketone;SCHEMBL2360603;DTXSID30606418;ZFCRURYZCFPFMG-UHFFFAOYSA-N;ZB0647;AKOS010994611;CS-0308521;N13960;EN300-1231752;A1-29978;Z851790218

Chemical Property of 1-(2-Bromophenyl)-2-methylpropan-1-one

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)C1=CC=CC=C1Br

Technology Process of 1-(2-Bromophenyl)-2-methylpropan-1-one

There total 8 articles about 1-(2-Bromophenyl)-2-methylpropan-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: 99.0%

1-(2′-bromophenyl)-2-methylpropan-1-ol (253309-48-7) → 1-(2′-bromophenyl)-2-methylpropan-1-one (209223-84-7)

Guidance literature:

With silica gel; pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2013.12.030

Reference yield: 83.0%

isopropylmagnesium chloride (1068-55-9) + 2-bromobenzoic acid chloride (7154-66-7) → 1-(2′-bromophenyl)-2-methylpropan-1-one (209223-84-7)

Guidance literature:

isopropylmagnesium chloride; With zinc(II) chloride; In tetrahydrofuran; at -20 ℃; for 0.333333h; Inert atmosphere;

With copper(I) cyanide di(lithium chloride); In tetrahydrofuran; for 0.333333h; Inert atmosphere;

2-bromobenzoic acid chloride; In tetrahydrofuran; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b01538

Reference yield: 73.0%

phenyl isopropyl ketone (611-70-1) → 1-(2′-bromophenyl)-2-methylpropan-1-one (209223-84-7)

Guidance literature:

With N-Bromosuccinimide; silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper diacetate; In 1,2-dichloro-ethane; at 120 ℃; for 21h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja302631j

upstream raw materials:

1-(2′-bromophenyl)-2-methylpropan-1-ol

ortho-bromobenzaldehyde

2-bromobenzylchloride

phenyl isopropyl ketone

Downstream raw materials:

4-Phenylmorpholine