4-(2-Bromoethyl)phenol

Base Information

• Chemical Name: 4-(2-Bromoethyl)phenol
• CAS No.: 14140-15-9
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2908190090
• European Community (EC) Number: 237-989-5
• UNII: I61CD92KW5
• DSSTox Substance ID: DTXSID50161716
• Nikkaji Number: J216.879K
• Wikidata: Q72480919
• ChEMBL ID: CHEMBL24838
• Mol file: 14140-15-9.mol

Synonyms:4-(2-Bromoethyl)phenol;14140-15-9;4-Hydroxyphenethyl bromide;EINECS 237-989-5;I61CD92KW5;MFCD00129679;Phenol, 4-bromoethyl-;4-Hydroxy-1-(2-bromoethyl)benzene;4-(2-Bromo-ethyl)-phenol;UNII-I61CD92KW5;CHEMBL24838;SCHEMBL990720;2-p-hydroxyphenylethyl bromide;DTXSID50161716;2-(4-hydroxyphenyl)ethyl bromide;4-Hydroxyphenethyl bromide, 96%;1-Bromo-2-(4-hydroxyphenyl)ethane;(2-[4-hydroxyphenyl]ethyl) bromide;AKOS000277796;CS-W004888;DS-16287;SY020164;FT-0637016;EN300-1896222;A807759;J-007492;2-(4-Hydroxyphenyl)-1-bromoethane, 4-(2-Bromoethyl)phenol

Chemical Property of 4-(2-Bromoethyl)phenol

Chemical Property:

• Vapor Pressure: 0.00283mmHg at 25°C
• Melting Point: 88-92 °C(lit.)
• Refractive Index: 1.593
• Boiling Point: 276.5 °C at 760 mmHg
• PKA: 9.91±0.15(Predicted)
• Flash Point: 121.1 °C
• PSA: 20.23000
• Density: 1.501 g/cm³
• LogP: 2.32960
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

99% ^*data from raw suppliers

4-(2-Bromoethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCBr)O

Technology Process of 4-(2-Bromoethyl)phenol

There total 18 articles about 4-(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: 100.0%

p-hydroxyphenethyl alcohol (501-94-0) → 4-(2-bromoethyl)phenol (14140-15-9)

Guidance literature:

With PS-triphenylphosphine; bromine; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1002/1521-3773(20020617)41:12<2194::AID-ANIE2194>3.0.CO;2-4

Reference yield: 89.0%

4-hydroxyphenylacetate (156-38-7) → 4-(2-bromoethyl)phenol (14140-15-9)

Guidance literature:

With trimethylsilyl bromide; 1,1,3,3-Tetramethyldisiloxane; indium tribromide; In chloroform; at 60 ℃; for 1h; Sealed tube; Inert atmosphere;

DOI:10.1021/ol302168q

Reference yield: 79.0%

2-(3,5-di-t-butyl-4-hydroxyphenyl)ethanol (3673-68-5) → 4-(2-bromoethyl)phenol (14140-15-9)

Guidance literature:

With hydrogen bromide; Heating;

DOI:10.1007/s11172-007-0169-y

upstream raw materials:

1-methoxy-4-(2-methoxyethyl)benzene

4-(2-bromo-ethyl)-aniline; hydrochloride

p-hydroxyphenethyl alcohol

2-(4-Methoxyphenyl)ethanol

Downstream raw materials:

4-(2-methoxyethyl)phenol

N,N-dimethyltyramine

C₂₆H₂₈N₂O₅

C₂₆H₂₈N₂O₅

Refernces

• 1、 -. "Preparation method 4 - (2 - bromoethyl) phenol". Paragraph 0059-0069; 0075. . Retrieved 2021/11/26.
• 2、 Lin, Quan,Ma, Guobin,Gong, Hegui. "Ni-Catalyzed Formal Cross-Electrophile Coupling of Alcohols with Aryl Halides". . p. 14102 - 14109. Retrieved 2021/11/20.