2-Bromo-1-(3,5-dimethoxyphenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(3,5-dimethoxyphenyl)ethanone
• CAS No.: 50841-50-4
• Molecular Formula: C10H11BrO3
• Molecular Weight: 259.1
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20373642
• Nikkaji Number: J3.035.454K
• Wikidata: Q82161901
• Mol file: 50841-50-4.mol

Synonyms:2-bromo-1-(3,5-dimethoxyphenyl)ethanone;50841-50-4;2-Bromo-1-(3,5-dimethoxyphenyl)ethan-1-one;MFCD03425185;Dihydroxy bromoacetophenone;SCHEMBL333513;DTXSID20373642;JUJBYPJUERJZQP-UHFFFAOYSA-N;BBL102647;STL556451;AKOS015961096;2-bromo-3',5'-dimethoxy acetophenone;alpha-Bromo-3',5'-dimethoxyacetophenone;AC-12906;CS-0223953;EN300-117167

Chemical Property of 2-Bromo-1-(3,5-dimethoxyphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.000338mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 319.5°Cat760mmHg
• Flash Point: 147°C
• PSA: 35.53000
• Density: 1.422g/cm³
• LogP: 2.28140
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.98916
• Heavy Atom Count: 14
• Complexity: 184

Purity/Quality:

99%min ^*data from raw suppliers

2-bromo-1-(3,5-dimethoxyphenyl)ethanone 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)C(=O)CBr)OC

Technology Process of 2-Bromo-1-(3,5-dimethoxyphenyl)ethanone

There total 5 articles about 2-Bromo-1-(3,5-dimethoxyphenyl)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: 90.0%

1-(3,5-dimethoxyphenyl)ethan-1-one (39151-19-4) → (2-bromo-1-(3,5-dimethoxyphenyl)ethanone) (50841-50-4)

Guidance literature:

With tetra-N-butylammonium tribromide; In tetrahydrofuran; methanol; at 20 ℃; for 2h; Solvent; Concentration;

Reference yield: 85.0%

→ (2-bromo-1-(3,5-dimethoxyphenyl)ethanone) (50841-50-4)

Guidance literature:

Reference yield:

3,5-dihydroxyacetophenone (51863-60-6) + methyl iodide (74-88-4) → (2-bromo-1-(3,5-dimethoxyphenyl)ethanone) (50841-50-4)

Guidance literature:

3,5-dihydroxyacetophenone; methyl iodide; With potassium carbonate; In acetone; at 20 ℃; for 24h;

With copper(ll) bromide; In chloroform; ethyl acetate; for 16h; Reflux;

DOI:10.1080/10286020.2020.1776267

upstream raw materials:

1-(3,5-dimethoxyphenyl)ethan-1-one

2-diazo-1-(3,5-dimethoxyphenyl)ethanone

3,5-dimethoxybenzoyl chloride

3,5-dihydroxyacetophenone

Downstream raw materials:

2-(3,5-dimethoxy-phenacyl)-1,1-dioxo-1λ⁶-benz[d]isothiazol-3-one

methyl 4-[4-(3,5-dimethoxyphenyl)(1,3-thiazol-2-yl)]-5-methylthiothiophene-2-carboxylate

Refernces

• 1、 -. "Synthesis method of terbutaline and application of terbutaline in preparation of terbutaline sulfate". Paragraph 0054-0056; 0061-0074. . Retrieved 2021/01/24.
• 2、 Lindgren, Anders E. G.,?berg, Christopher T.,Hillgren, J. Mikael,Elofsson, Mikael. "Total synthesis of the resveratrol oligomers (±)-Ampelopsin B and (±)-σ-Viniferin". supporting information. p. 426 - 429. Retrieved 2016/02/18.