2-(2-Bromoethyl)phenol

Base Information

• Chemical Name: 2-(2-Bromoethyl)phenol
• CAS No.: 57027-75-5
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• European Community (EC) Number: 856-114-3
• Mol file: 57027-75-5.mol

Synonyms:2-(2-BROMOETHYL)PHENOL;57027-75-5;2-(2-BROMOETHYL)-PHENOL;2-hydroxy phenethyl bromide;SCHEMBL990719;GZPRFUSTANBATG-UHFFFAOYSA-N;CS-0453677;C78317;EN300-187505

Chemical Property of 2-(2-Bromoethyl)phenol

Chemical Property:

• Boiling Point: 90-100 °C
• PKA: 10.05±0.30(Predicted)
• PSA: 20.23000
• Density: 1.501±0.06 g/cm3(Predicted)
• LogP: 2.32960
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

95% ^*data from raw suppliers

2-(2-Bromoethyl)-phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2-Bromoethyl)phenol

There total 7 articles about 2-(2-Bromoethyl)phenol 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: 62.0%

2-(2-hydroxyphenyl)ethanol (7768-28-7) → 2-(2-Bromoethyl)phenol (57027-75-5)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at -35 - 20 ℃;

Reference yield: 46.0%

2-methoxyphenethyl alcohol (7417-18-7) → 2.3-dihydrobenzofuran (496-16-2) + 2-(2-Bromoethyl)phenol (57027-75-5)

Guidance literature:

With hydrogen bromide; acetic acid;

DOI:10.1007/BF00758272

Reference yield: 40.0%

2.3-dihydrobenzofuran (496-16-2) → 2-(2-Bromoethyl)phenol (57027-75-5)

Guidance literature:

With 1-n-butyl-3-methylimidazolim bromide; toluene-4-sulfonic acid; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 115 ℃; for 13h;

DOI:10.1021/jo035886e

upstream raw materials:

2-(2-hydroxyphenyl)ethanol

2-methoxyphenethyl alcohol

2.3-dihydrobenzofuran

1-benzofurane

Downstream raw materials:

2.3-dihydrobenzofuran

5,7-dinitro-2,3-dihydro-benzofuran

ethyl 2( 2,3-dihydro-1-benzofuran-5-yl)oxoacetate

1-(2,3-dihydrobenzofuran-5-yl)ethanone