3-Bromophenethyl alcohol

Base Information

• Chemical Name: 3-Bromophenethyl alcohol
• CAS No.: 28229-69-8
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 29062990
• European Community (EC) Number: 691-780-7
• DSSTox Substance ID: DTXSID20370116
• Nikkaji Number: J1.421.976E
• Wikidata: Q72449415
• Mol file: 28229-69-8.mol

Synonyms:3-Bromophenethyl alcohol;28229-69-8;2-(3-Bromophenyl)ethanol;2-(3-bromophenyl)ethan-1-ol;Benzeneethanol, 3-bromo-;3-Bromobenzeneethanol;3-(2-hydroxyethyl)bromobenzene;2-(3-Bromophenyl)ethyl Alcohol;MFCD00191857;3-bromo-phenethyl-alcohol;2-(3-bromophenyl)-ethanol;2-(3-bromo-phenyl)-ethanol;SCHEMBL643177;2-(3-Bromophenyl)-1-ethanol;3-Bromophenethyl alcohol, 99%;DTXSID20370116;PTTFLKHCSZSFOL-UHFFFAOYSA-N;AB3194;AKOS009157833;CS-W007864;AC-23078;SY006105;TS-02854;AM20060589;B3517;FT-0608539;EN300-132344;A819379;2-(3-Bromophenyl)-ethanol;3-Bromophenethylacohol;J-017008

Chemical Property of 3-Bromophenethyl alcohol

Chemical Property:

• Vapor Pressure: 0.00259mmHg at 25°C
• Refractive Index: n20/D 1.5732(lit.)
• Boiling Point: 274.614 °C at 760 mmHg
• PKA: 14.83±0.10(Predicted)
• Flash Point: 119.883 °C
• PSA: 20.23000
• Density: 1.479 g/cm³
• LogP: 1.98390
• Storage Temp.: Keep Cold
• XLogP3: 2.2
• 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:

99% ^*data from raw suppliers

2-(3-Bromophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)CCO
• Uses: 3-Bromophenethyl alcohol may be used as a starting material in the synthesis of its mesylate derivative (m-Br-C6H4CH2CH2OMs) by treatment with mesyl chloride.

Technology Process of 3-Bromophenethyl alcohol

There total 9 articles about 3-Bromophenethyl alcohol 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: 93.0%

3-Bromophenylacetic acid (1878-67-7) → 2-(3-bromophenyl)ethan-1-ol (28229-69-8)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 ℃; for 4h;

DOI:10.1016/j.bmcl.2007.03.054

Reference yield: 83.0%

methyl 2-(3-bromophenyl)acetatee (150529-73-0) → 2-(3-bromophenyl)ethan-1-ol (28229-69-8)

Guidance literature:

methyl 2-(3-bromophenyl)acetatee; With sodium triethylborohydride; In diethyl ether; toluene; at 20 ℃; for 8h; Inert atmosphere;

With sodium hydroxide; In methanol; diethyl ether; toluene; at 20 ℃; for 2h;

DOI:10.1002/chem.201502942

Reference yield: 66.0%

2-(3-bromophenyl)acetaldehyde (109347-40-2) → 2-(3-bromophenyl)ethan-1-ol (28229-69-8)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 1h; Inert atmosphere;

DOI:10.1021/acs.joc.8b02721

upstream raw materials:

ethyl 2-(3-bromophenyl)acetate

3-Bromophenylacetic acid

(3-bromophenyl)acetonitrile

3-bromostyrene

Downstream raw materials:

1-bromo-3-(2-chloroethyl)benzene

4-(3-bromophenethyl)morpholine

2-(3-bromophenylethoxy)tetrahydro-2H-pyran

3-(2-hydroxy-1-ethyl)-1,1'-biphenyl

Refernces

• 1、 -. "Method for preparation of aromatic alcohol by photocatalysis of aromatic aldehyde conversion". Paragraph 0022-0024; 0059-0060. . Retrieved 2020/04/17.
• 2、 Xie, Jin,Yang, Fengzhi,Zhang, Man,Lam, Celine,Qiao, Yixue,Xiao, Jia,Zhang, Dongdong,Ge, Yuxuan,Fu, Lei,Xie, Dongsheng. "Antiproliferative activity and SARs of caffeic acid esters with mono-substituted phenylethanols moiety". . p. 131 - 134. Retrieved 2016/12/27.