1-(2-Bromophenyl)ethanol

Base Information

• Chemical Name: 1-(2-Bromophenyl)ethanol
• CAS No.: 5411-56-3
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 29062900
• European Community (EC) Number: 226-491-3
• NSC Number: 10988
• DSSTox Substance ID: DTXSID801313058
• Nikkaji Number: J217.982B
• Mol file: 5411-56-3.mol

Synonyms:1-(2-bromophenyl)ethanol;5411-56-3;1-(2'-BROMOPHENYL)-1-HYDROXYETHANE;2-Bromo-alpha-methylbenzyl alcohol;1-(2-bromophenyl)ethan-1-ol;EINECS 226-491-3;MFCD00065001;MFCD00216591;NSC10988;o-bromo-1-phenylethanol;o-bromo-1-phenyl ethanol;1-(2-bro-mophenyl)ethanol;1-(2-bromo-phenyl)-ethanol;SCHEMBL286556;2-Bromo-A-methylbenzyl alcohol;SCHEMBL14376099;DTXSID801313058;(RS)-1-(2-bromo-phenyl)-ethanol;NSC 10988;NSC-10988;AKOS000249009;AKOS022183583;AS-31085;SY005052;SY024770;1-(2-BROMOPHENYL)-1-HYDROXYETHANE;CS-0194295;FT-0605500;FT-0656004;FT-0657651;EN300-137148;W-105674

Chemical Property of 1-(2-Bromophenyl)ethanol

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Melting Point: 54-56 °C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 243.5 °C at 760 mmHg
• PKA: 14.01±0.20(Predicted)
• Flash Point: 113.3 °C
• PSA: 20.23000
• Density: 1.47 g/cm³
• LogP: 2.50240
• XLogP3: 2.1
• 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:

98%min ^*data from raw suppliers

1-(2-Bromophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1Br)O

Technology Process of 1-(2-Bromophenyl)ethanol

There total 65 articles about 1-(2-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: 100.0%

2-bromophenyl methyl ketone (2142-69-0) → 1-(2-bromophenyl)ethanol (5411-56-3)

Guidance literature:

With [{(CH₃)₂C₃HN₂-C₅H₃N-C₃H₃N₂}RuCl₂(PPh₃)]; potassium isopropoxide; isopropyl alcohol; at 82 ℃; for 0.00277778h; Inert atmosphere;

DOI:10.1021/om300602w

Reference yield: 100.0%

(1S)-1-(2-bromophenyl)ethanol (5411-56-3,76116-20-6,118375-26-1,114446-55-8) → 1-(2-bromophenyl)ethanol (5411-56-3)

Guidance literature:

With (η(5)-C5Me5)RuCl(1,3-bis(cyclohexyl)imidazol-2-ylidene); sodium t-butanolate; In toluene; at 50 ℃;

DOI:10.1021/jo1001005

Reference yield: 99.0%

methylmagnesium bromide (75-16-1) + ortho-bromobenzaldehyde (6630-33-7) → 1-(2-bromophenyl)ethanol (5411-56-3)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 6.5h; Inert atmosphere;

DOI:10.1002/chem.201806057

upstream raw materials:

methyl magnesium iodide

ortho-bromobenzaldehyde

methylmagnesium chloride

2-bromophenyl methyl ketone

Downstream raw materials:

(S)-1-bromo-2-(1-methoxyethyl)benzene

(S,S)-bis[2-(1-hydroxyethyl)phenyl] diselenide

1-bromo-2-(1-methoxyethyl)benzene

1-(2-bromophenyl)ethyl bis(4-methylphenyl)phosphinate

Refernces

• 1、 Zhang, Lin,Zhang, Ling,Chen, Qian,Li, Linlin,Jiang, Jian,Sun, Hao,Zhao, Chong,Yang, Yuanyong,Li, Chun. "Cinchona-Alkaloid-Derived NNP Ligand for Iridium-Catalyzed Asymmetric Hydrogenation of Ketones". supporting information. p. 415 - 419. Retrieved 2022/01/12.
• 2、 Schmermund, Luca,Reischauer, Susanne,Bierbaumer, Sarah,Winkler, Christoph K.,Diaz-Rodriguez, Alba,Edwards, Lee J.,Kara, Selin,Mielke, Tamara,Cartwright, Jared,Grogan, Gideon,Pieber, Bartholom?us,Kroutil, Wolfgang. "Chromoselective Photocatalysis Enables Stereocomplementary Biocatalytic Pathways**". supporting information. p. 6965 - 6969. Retrieved 2021/03/03.