1-(2-Bromoethyl)-4-ethylbenzene

Base Information

• Chemical Name: 1-(2-Bromoethyl)-4-ethylbenzene
• CAS No.: 259818-85-4
• Molecular Formula: C₁₀H₁₃Br
• Molecular Weight: 213.117
• European Community (EC) Number: 962-093-2
• DSSTox Substance ID: DTXSID70600233
• Wikidata: Q82496209
• Mol file: 259818-85-4.mol

Synonyms:1-(2-BROMOETHYL)-4-ETHYLBENZENE;259818-85-4;SCHEMBL4613463;DTXSID70600233;AKOS011895486;CS-0261155;EN300-77368;F8880-5980

Chemical Property of 1-(2-Bromoethyl)-4-ethylbenzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.18640
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 212.02006
• Heavy Atom Count: 11
• Complexity: 93

Purity/Quality:

98.5% ^*data from raw suppliers

1-(2-Bromoethyl)-4-ethylbenzene 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)CCBr

Technology Process of 1-(2-Bromoethyl)-4-ethylbenzene

There total 2 articles about 1-(2-Bromoethyl)-4-ethylbenzene 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:

2-(4'-ethylphenyl)ethanol (22545-13-7) → 4-ethyl-phenethyl bromide (259818-85-4)

Guidance literature:

With phosphorus tribromide;

DOI:10.1021/jo01225a001

Reference yield:

→ 4-ethyl-phenethyl bromide (259818-85-4)

Guidance literature:

β-Bromethylbenzol I, C2H4 III, HF-TiF4;

Reference yield: 22.0%

4-ethyl-phenethyl bromide (259818-85-4) + [(E)-methyl 3-(2-oxo-1,2-dihydropyridin-3-yl)acrylate] → (E)-methyl 3-(1-(4-ethylphenethyl)-2-oxo-1,2-dihydropyridin-3-yl)acrylate

Guidance literature:

With potassium carbonate; In acetone; Reflux;

DOI:10.1021/acs.jmedchem.5b00062

upstream raw materials:

2-(4'-ethylphenyl)ethanol

Downstream raw materials:

4-ethylphenylethylamine

(E)-3-(1-(4-ethylphenethyl)-2-oxo-1,2-dihydropyridin-3-yl)-N-hydroxyacrylamide

Refernces