3-Bromophenetole

Base Information

• Chemical Name: 3-Bromophenetole
• CAS No.: 2655-84-7
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2909309090
• European Community (EC) Number: 220-186-9
• DSSTox Substance ID: DTXSID00181126
• Nikkaji Number: J99.640H
• Wikidata: Q72455263
• Mol file: 2655-84-7.mol

Synonyms:3-Bromophenetole;2655-84-7;1-Bromo-3-ethoxybenzene;Benzene, 1-bromo-3-ethoxy-;1-bromo-3-ethoxy-benzene;Phenetole, m-bromo-;MFCD00274287;EINECS 220-186-9;3-Bromophenyl ethyl ether;M-BROMOPHENETOLE;m-Bromphenetol;3-ethoxybromobenzene;3-Bromophenetole, 97%;1-Bromo-3-ethoxybenzene #;SCHEMBL1203917;DTXSID00181126;(3-bromophenyl) methyl methyl ether;BBL103631;STL557441;AKOS000187944;AM61450;CS-W015570;BP-21285;MS-20672;SY049073;B2062;FT-0615237;3-BROMOPHENETOLE;EN300-105078;A818507;J-016474;Z53833934

Chemical Property of 3-Bromophenetole

Chemical Property:

• Vapor Pressure: 0.173mmHg at 25°C
• Refractive Index: n20/D 1.548(lit.)
• Boiling Point: 219.784 °C at 760 mmHg
• Flash Point: 100.208 °C
• PSA: 9.23000
• Density: 1.376 g/cm³
• LogP: 2.84780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• 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

1-Bromo-3-ethoxybenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC(=CC=C1)Br

Technology Process of 3-Bromophenetole

There total 9 articles about 3-Bromophenetole 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: 95.0%

ethyl bromide (74-96-4) + 3-Bromophenol (591-20-8) → m-ethoxyphenyl bromide (2655-84-7)

Guidance literature:

With potassium carbonate; In methanol; at 120 ℃; for 0.333333h; Inert atmosphere; Microwave irradiation;

DOI:10.1021/jm200640v

Reference yield: 84.0%

3-Bromophenol (591-20-8) + ethyl iodide (75-03-6) → m-ethoxyphenyl bromide (2655-84-7)

Guidance literature:

In water; N,N-dimethyl-formamide;

Reference yield: 84.0%

ethanol (64-17-5) + 3-bromophenyl(mesityl)iodonium bromide → m-ethoxyphenyl bromide (2655-84-7)

Guidance literature:

ethanol; With sodium hydride; In tert-butyl methyl ether; mineral oil; at 20 ℃; for 0.25h; Inert atmosphere; Sealed tube;

3-bromophenyl(mesityl)iodonium bromide; In tert-butyl methyl ether; mineral oil; at 50 ℃; for 1h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.5b00907

upstream raw materials:

diethyl sulfate

3-Bromophenol

m-nitrobromobenzene

m-Bromoaniline

Downstream raw materials:

(3-ethoxyphenyl)magnesium bromide

4-(3-ethoxyphenyl)-3,5-dimethylisoxazole

3-ethoxybiphenyl

2-(3-bromo-5-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Refernces

• 1、 -. "LIQUID CRYSTAL COMPOUND HAVING BENZOTHIOPHENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE". Paragraph 0209. . Retrieved 2018/10/30.
• 2、 Hewings, David S.,Wang, Minghua,Philpott, Martin,Fedorov, Oleg,Uttarkar, Sagar,Filippakopoulos, Panagis,Picaud, Sarah,Vuppusetty, Chaitanya,Marsden, Brian,Knapp, Stefan,Conway, Stuart J.,Heightman, Tom D.. "3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands". supporting information; experimental part. p. 6761 - 6770. Retrieved 2011/12/04.