2-(4-Bromophenyl)ethanol

Base Information

• Chemical Name: 2-(4-Bromophenyl)ethanol
• CAS No.: 4654-39-1
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 29052900
• European Community (EC) Number: 225-093-7
• DSSTox Substance ID: DTXSID00196871
• Nikkaji Number: J124.930D
• Wikidata: Q72449035
• Mol file: 4654-39-1.mol

Synonyms:2-(4-Bromophenyl)ethanol;4654-39-1;4-Bromophenethyl alcohol;p-Bromophenethyl alcohol;Benzeneethanol, 4-bromo-;2-(4-Bromophenyl)Ethan-1-Ol;2-(4-Bromo-phenyl)-ethanol;Phenethyl alcohol, p-bromo-;MFCD00002897;2-(4-Bromophenyl)ethyl Alcohol;4-bromophenethylalcohol;4-Bromo-phenethyl alcohol;EINECS 225-093-7;AI3-02518;4-Bromobenzeneethanol;2-p-bromo-phenylethanol;4-bromo-phenethylalcohol;p-Bromo-phenethyl alcohol;4-bromo phenethyl alcohol;4-BROMOPHENETHANOL;4-bromophenylethyl alcohol;4-bromophenyl ethyl alcohol;SCHEMBL5638;2-(4-bromophenyl) ethanol;2-(4-bromophenyl)-ethanol;2-(4-bromophenyl)ethylalcohol;2-(4-bromophenyl)-1-ethanol;4-Bromophenethyl alcohol, 99%;PMOSJSPFNDUAFY-UHFFFAOYSA-;DTXSID00196871;4-(2-Hydroxyethyl)-1-bromobenzene;AKOS005203207;AB00280;AC-2689;CS-W004747;PS-4689;BP-21472;SY002573;AM20060213;B1918;FT-0601993;EN300-98199;W-106087;F0001-1257;Z397587340

Chemical Property of 2-(4-Bromophenyl)ethanol

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 0.0871mmHg at 25°C
• Melting Point: 36-38 °C(lit.)
• Refractive Index: n20/D 1.573(lit.)
• Boiling Point: 274.6 °C at 760 mmHg
• PKA: 14.79±0.10(Predicted)
• Flash Point: 110 °C
• PSA: 20.23000
• Density: 1.436 g/cm³
• LogP: 1.98390
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• 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

2-(4-Bromophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCO)Br
• Uses: 4-Bromophenethyl alcohol was used in the synthesis of 4-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenethoxy)quinazoline.

Technology Process of 2-(4-Bromophenyl)ethanol

There total 30 articles about 2-(4-Bromophenyl)ethanol 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%

2-(4-bromophenyl)-acetic acid (1878-68-8) → 4-bromophenethanol (4654-39-1)

Guidance literature:

2-(4-bromophenyl)-acetic acid; With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 20 ℃; for 3h;

With hydrogenchloride; water; In tetrahydrofuran; at 0 - 80 ℃; for 0.5h;

Reference yield: 98.0%

Ethyl 4-bromophenylacetate (14062-25-0) → 4-bromophenethanol (4654-39-1)

Guidance literature:

Ethyl 4-bromophenylacetate; With diethylzinc; lithium chloride; In tetrahydrofuran; hexane; at 20 ℃; for 6h; Inert atmosphere;

With sodium hydroxide; In tetrahydrofuran; hexane; water; at 20 ℃; for 8h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201406176

Reference yield: 92.0%

2-phenylethanol (60-12-8) → 4-bromophenethanol (4654-39-1)

Guidance literature:

With N-Bromosuccinimide; at 20 ℃; for 0.5h; regioselective reaction;

DOI:10.1021/acs.joc.7b02920

upstream raw materials:

oxirane

(4-bromophenyl)magnesium bromide

(+/-)-2-(4-bromophenyl)oxirane

2-(4'-aminophenyl)ethyl alcohol

Downstream raw materials:

1-bromo-4-(2-bromoethyl)benzene

1-bromo-4-(2-chloroethyl)benzene

4-(2-((tert-butyldimethylsilyl)oxy)ethyl)benzoic acid

phenyl-carbamic acid-(4-bromo-phenethyl ester)

Refernces

• 1、 Mai, Binh Khanh,Nguyen, Thanh Vinh,Ton, Nhan N. H.. "Tropylium-Promoted Hydroboration Reactions: Mechanistic Insights Via Experimental and Computational Studies". . p. 9117 - 9133. Retrieved 2021/07/19.
• 2、 Liu, Xin,Longwitz, Lars,Spiegelberg, Brian,T?njes, Jan,Beweries, Torsten,Werner, Thomas. "Erbium-Catalyzed Regioselective Isomerization-Cobalt-Catalyzed Transfer Hydrogenation Sequence for the Synthesis of Anti-Markovnikov Alcohols from Epoxides under Mild Conditions". . p. 13659 - 13667. Retrieved 2020/11/30.