2-Bromo-4'-propoxyacetophenone

Base Information

• Chemical Name: 2-Bromo-4'-propoxyacetophenone
• CAS No.: 53704-74-8
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.127
• DSSTox Substance ID: DTXSID80562237
• Wikidata: Q82446310
• Mol file: 53704-74-8.mol

Synonyms:2-bromo-4'-propoxyacetophenone;53704-74-8;SCHEMBL5057170;DTXSID80562237;CCOJXLZTTRVBFI-UHFFFAOYSA-N;AKOS000210792;2-Bromo-1-(4-propoxyphenyl)ethan-1-one

Chemical Property of 2-Bromo-4'-propoxyacetophenone

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 256.00989
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)C(=O)CBr

Technology Process of 2-Bromo-4'-propoxyacetophenone

There total 3 articles about 2-Bromo-4'-propoxyacetophenone 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:

4-propoxybenzoic acid (5438-19-7) → 2-bromo-1-(4-propoxyphenyl)ethan-1-one (53704-74-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1 h / 0 °C / Inert atmosphere

2.1: 1 h / 0 °C

2.2: 0.33 h / 0 °C

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1002/cmdc.201900033

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + p-propoxybenzoyl chloride (40782-58-9) → 2-bromo-1-(4-propoxyphenyl)ethan-1-one (53704-74-8)

Guidance literature:

diazomethane; p-propoxybenzoyl chloride; at 0 ℃; for 1h;

With hydrogen bromide; at 0 ℃; for 0.333333h;

DOI:10.1002/cmdc.201900033

Reference yield:

→ 2-bromo-1-(4-propoxyphenyl)ethan-1-one (53704-74-8)

Guidance literature:

/BRN= 637550/, abs. Aether, AlCl3, Zutropfen von Br2 unter Eiskuehlung, Ruehren;

upstream raw materials:

4-propoxybenzoic acid

diazomethane

p-propoxybenzoyl chloride

Downstream raw materials:

2-Diethylamino-1-(4-propoxy-phenyl)-ethanone

2-Azepan-1-yl-1-(4-propoxy-phenyl)-ethanone

4-(4-propoxy-phenyl)-thiazole-2-carbothioic acid dimethylamide

2-(4-propoxyphenyl)quinoxaline