1-(2-Bromoethyl)-2-chloro-3,4-dimethoxybenzene

Base Information

• Chemical Name: 1-(2-Bromoethyl)-2-chloro-3,4-dimethoxybenzene
• CAS No.: 103346-73-2
• Molecular Formula: C10H12BrClO2
• Molecular Weight: 279.561
• DSSTox Substance ID: DTXSID00546099
• Wikidata: Q82423803
• Mol file: 103346-73-2.mol

Synonyms:1-(2-Bromoethyl)-2-chloro-3,4-dimethoxybenzene;103346-73-2;SCHEMBL10617794;DTXSID00546099;AKOS014196910;EN300-1898183

Chemical Property of 1-(2-Bromoethyl)-2-chloro-3,4-dimethoxybenzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 277.97092
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)CCBr)Cl)OC

Technology Process of 1-(2-Bromoethyl)-2-chloro-3,4-dimethoxybenzene

There total 2 articles about 1-(2-Bromoethyl)-2-chloro-3,4-dimethoxybenzene 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: 68.0%

2-(2-chloro-3,4-dimethoxyphenyl)ethanol (103346-71-0) → 2-(2-chloro-3,4-dimethoxyphenyl)ethyl bromide (103346-73-2)

Guidance literature:

With phosphorus tribromide; In diethyl ether; for 1h; Heating;

DOI:10.1021/jm00159a010

Reference yield:

(2-chloro-3,4-dimethoxyphenyl)acetic acid (6834-51-1) → 2-(2-chloro-3,4-dimethoxyphenyl)ethyl bromide (103346-73-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / BH₃ / tetrahydrofuran / 24 h / 25 °C

2: 68 percent / PBr₃ / diethyl ether / 1 h / Heating

With borane; phosphorus tribromide; In tetrahydrofuran; diethyl ether;

DOI:10.1021/jm00159a010

Reference yield:

2-(2-chloro-3,4-dimethoxyphenyl)ethyl bromide (103346-73-2) + diethyl malonate (105-53-3) → diethyl α-<2-(2-chloro-3,4-dimethoxyphenyl)ethyl>malonate (103346-75-4)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) THF, 20 deg C, 2.) THF, reflux, 40 h;

DOI:10.1021/jm00159a010

upstream raw materials:

2-(2-chloro-3,4-dimethoxyphenyl)ethanol

(2-chloro-3,4-dimethoxyphenyl)acetic acid

Downstream raw materials:

diethyl α-<2-(2-chloro-3,4-dimethoxyphenyl)ethyl>malonate

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