1-(2-Bromo-5-methoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(2-Bromo-5-methoxyphenyl)ethanone
• CAS No.: 6342-63-8
• Molecular Formula: C9H9 Br O2
• Molecular Weight: 229.073
• Hs Code.: 2914700090
• European Community (EC) Number: 613-217-6
• NSC Number: 46628
• DSSTox Substance ID: DTXSID90286593
• Nikkaji Number: J2.327.094C
• Wikidata: Q82022370
• Mol file: 6342-63-8.mol

Synonyms:6342-63-8;1-(2-bromo-5-methoxyphenyl)ethanone;3-Acetyl-4-bromoanisole;2'-Bromo-5'-methoxyacetophenone;1-(2-Bromo-5-methoxyphenyl)ethan-1-one;1-(2-Bromo-5-methoxy-phenyl)ethanone;Ethanone, 1-(2-bromo-5-methoxyphenyl)-;NSC46628;SCHEMBL1652968;DTXSID90286593;MFCD02683853;NSC 46628;NSC-46628;AKOS016001161;PS-6236;1-(2-bromo-5-methoxy-phenyl)-ethanone;CS-0045042;FT-0738058;F20521

Chemical Property of 1-(2-Bromo-5-methoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.00228mmHg at 25°C
• Melting Point: 102°C
• Boiling Point: 288.9°C at 760 mmHg
• Flash Point: 128.5°C
• PSA: 26.30000
• Density: 1.421g/cm³
• LogP: 2.66030
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

3-Acetyl-4-bromoanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Bromo-5-methoxyphenyl)ethanone

There total 17 articles about 1-(2-Bromo-5-methoxyphenyl)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: 99.0%

dimethyl zinc(II) (544-97-8) + 2-bromo-5-methoxybenzoyl chloride (56658-04-9) → 1-(2-bromo-5-methoxyphenyl)ethanone (6342-63-8)

Guidance literature:

In toluene; at 0 - 20 ℃; for 0.5h;

Reference yield: 97.0%

1-(2′-bromo-5′-methoxyphenyl)ethan-1-ol (71095-23-3) → 1-(2-bromo-5-methoxyphenyl)ethanone (6342-63-8)

Guidance literature:

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

DOI:10.1021/ol2032625

Reference yield: 96.0%

methylmagnesium bromide (75-16-1) + 2-bromo-N,5-dimethoxy-N-methylbenzamide (374803-67-5) → 1-(2-bromo-5-methoxyphenyl)ethanone (6342-63-8)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201300917

upstream raw materials:

2-bromo-5-methoxybenzoyl chloride

diethyl malonate

1-(2′-bromo-5′-methoxyphenyl)ethan-1-ol

bis(trimethylsilyl) malonate

Downstream raw materials:

2-bromo-1-(2-bromo-5-methoxyphenyl)ethanone

1-(5-methoxy-2-(pent-1-ynyl)phenyl)ethanone

1-bromo-4-methoxy-2-(2-methoxy-1-methylethenyl)benzene

1-bromo-4-methoxy-2-(2-methoxy-1-methylethenyl)benzene