4-Bromo-3-fluoroanisole

Base Information

• Chemical Name: 4-Bromo-3-fluoroanisole
• CAS No.: 458-50-4
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.026
• Hs Code.: 29093090
• DSSTox Substance ID: DTXSID50961218
• Nikkaji Number: J1.905.135H
• Wikidata: Q72455721
• Mol file: 458-50-4.mol

Synonyms:4-Bromo-3-fluoroanisole;458-50-4;1-bromo-2-fluoro-4-methoxybenzene;408-50-4;MFCD01310983;1-bromo-2-fluoro-4-methoxy-benzene;3-Fluoro-4-bromoanisole;4-bromo-3-fluoro anisole;4-Bromo 3-fluoro anisole;SCHEMBL276828;DTXSID50961218;XANVIFOBBVAKCY-UHFFFAOYSA-N;AKOS007930743;AC-3764;CS-W008401;DS-0878;PS-8119;SY018626;A7188;AM20050289;B3743;FT-0612041;FT-0612068;FT-0659809;EN300-73004;1-Bromo-2-fluoro-4-methoxybenzene, AldrichCPR;J-504396

Chemical Property of 4-Bromo-3-fluoroanisole

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0.59mmHg at 25°C
• Melting Point: 217-219 °C
• Refractive Index: 1.518
• Boiling Point: 195.4 °C at 760 mmHg
• Flash Point: 85.4 °C
• PSA: 9.23000
• Density: 1.531 g/cm³
• LogP: 2.59680
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.95861
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-3-fluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-26-37-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)Br)F
• Uses: 4-Bromo-3-fluoroanisole is a halo-aryl compound used in the preparation of orally available mGlu1 receptor enhancers.

Technology Process of 4-Bromo-3-fluoroanisole

There total 12 articles about 4-Bromo-3-fluoroanisole 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: 97.0%

4-bromo-3-fluorophenol (121219-03-2) + methyl iodide (74-88-4) → 1-bromo-2-fluoro-4-methoxybenzene (458-50-4)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; water; at 30 ℃; for 4h;

Reference yield: 96.0%

1-fluoro-3-methoxybenzene (456-49-5) → 1-bromo-2-fluoro-4-methoxybenzene (458-50-4)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃; for 16h;

DOI:10.1021/jacs.1c05281

Reference yield: 96.0%

methyl iodide (74-88-4) → 1-bromo-2-fluoro-4-methoxybenzene (458-50-4)

Guidance literature:

4-bromo-3-fluorophenol; With sodium hydride; In tetrahydrofuran; for 0.333333h;

methyl iodide; In tetrahydrofuran; at 20 ℃; for 16h;

upstream raw materials:

2-fluoro-4-(methoxy)aniline

1-fluoro-3-methoxybenzene

methyl iodide

2-fluoro-4-methoxy-1-nitro-benzene

Downstream raw materials:

3-fluoro-4-methoxybenzonitrile

4-bromo-3-fluorophenol

3-fluoro-4-hydroxybenzonitrile

2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanone

Refernces

• 1、 Quibell, Jacob M.,Perry, Gregory J. P.,Cannas, Diego M.,Larrosa, Igor. "Transition-metal-free decarboxylative bromination of aromatic carboxylic acids". . p. 3860 - 3865. Retrieved 2018/04/26.
• 2、 -. "Isothiazole derivatives as GPR120 agonists for the treatment of type II diabetes". Page/Page column 57; 58. . Retrieved 2015/07/07.