4-Bromo-2-ethylphenol

Base Information

• Chemical Name: 4-Bromo-2-ethylphenol
• CAS No.: 18980-21-7
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2908199090
• European Community (EC) Number: 242-718-9
• DSSTox Substance ID: DTXSID10172409
• Nikkaji Number: J224.821B
• Wikidata: Q83042504
• Mol file: 18980-21-7.mol

Synonyms:4-Bromo-2-ethylphenol;18980-21-7;Phenol, 4-bromo-2-ethyl-;BRN 2413107;4-Brom-2-aethylphenol [German];2-ethyl-4-bromophenol;4-Brom-2-aethylphenol;EINECS 242-718-9;MFCD00055489;4-Bromo-2-ethyl-phenol;SCHEMBL82273;DTXSID10172409;4-Bromo-2-ethylphenol, AldrichCPR;AKOS015949028;MB00480;AS-76346;SY318632;(e)-2-(5-bromo-2-hydroxyphenyl) ethane;LS-104097;FT-0663730;D94596;EN300-246110;J-012249;Z1269214466

Chemical Property of 4-Bromo-2-ethylphenol

Chemical Property:

• Appearance/Colour: yellow solid
• Vapor Pressure: 0.00979mmHg at 25°C
• Melting Point: 37-39°C
• Refractive Index: 1.577
• Boiling Point: 256.1 °C at 760 mmHg
• Flash Point: 108.7 °C
• PSA: 20.23000
• Density: 1.469 g/cm³
• LogP: 2.71710
• Storage Temp.: -20°C Freezer
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-ethylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=CC(=C1)Br)O

Technology Process of 4-Bromo-2-ethylphenol

There total 5 articles about 4-Bromo-2-ethylphenol 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: 99.0%

o-Hydroxyethylbenzene (90-00-6) → 4-bromo-2-ethylphenol (18980-21-7)

Guidance literature:

With tetra-N-butylammonium tribromide; In chloroform; for 0.333333h;

Reference yield: 90.0%

5-Bromo-2-hydroxyacetophenone (1450-75-5) → 4-bromo-2-ethylphenol (18980-21-7)

Guidance literature:

With sodium hydroxide; hydrazine; In 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; at 170 ℃; for 24h;

Reference yield:

4-bromophenyl acetate (1927-95-3) → 4-bromo-2-ethylphenol (18980-21-7)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / 150 - 160 °C

2: amalgamated zinc; diluted aqueous HCl

With hydrogenchloride; aluminium trichloride; amalgamated zinc;

DOI:10.1021/ja01338a057

upstream raw materials:

5-Bromo-2-hydroxyacetophenone

o-Hydroxyethylbenzene

4-bromo-phenol

4-bromophenyl acetate

Downstream raw materials:

(2-ethyl-4-bromo-phenyl)-cyclohexyl ether

4-bromo-2-tert-butyl-6-ethylphenol

4-bromo-1-ethoxymethoxy-2-ethylbenzene

Refernces

• 1、 Ocasio, Cory A.,Scanlan, Thomas S.. "Characterization of thyroid hormone receptor α (TRα)-specific analogs with varying inner- and outer-ring substituents". . p. 762 - 770. Retrieved 2008/09/17.
• 2、 -. "INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME". Page/Page column 196. . Retrieved 2008/06/13.