4-Bromo-1-fluoro-2-methoxybenzene

Base Information

• Chemical Name: 4-Bromo-1-fluoro-2-methoxybenzene
• CAS No.: 103291-07-2
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.026
• Hs Code.: 2909309090
• European Community (EC) Number: 674-785-9
• DSSTox Substance ID: DTXSID60544839
• Wikidata: Q72479429
• Mol file: 103291-07-2.mol

Synonyms:5-Bromo-2-fluoroanisole;103291-07-2;4-bromo-1-fluoro-2-methoxybenzene;2-fluoro-5-bromoanisole;2-fluoro-5-bromo anisole;MFCD01861130;3-BROMO-6-FLUOROANISOLE;4-bromo-1-fluoro-2-methoxy-benzene;DISPERSEBLUE7;5-bromo-2-fluoro-anisole;SCHEMBL265537;4-Bromo-2-methoxyfluorobenzene;DTXSID60544839;SEVMQEIGENUPIE-UHFFFAOYSA-N;4-Bromo-2-methoxy-1-fluorobenzene;5-bromo-2-fluoroanisole, AldrichCPR;AKOS005254718;CS-W008098;PS-8120;SY014351;AM20060308;EN300-258680;J-509437

Chemical Property of 4-Bromo-1-fluoro-2-methoxybenzene

Chemical Property:

• Vapor Pressure: 0.352mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 205.786 °C at 760 mmHg
• Flash Point: 92.476 °C
• PSA: 9.23000
• Density: 1.532 g/cm³
• LogP: 2.59680
• Storage Temp.: Room temperature.
• XLogP3: 2.9
• 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:

98% ^*data from raw suppliers

5-Bromo-2-fluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-52
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)Br)F

Technology Process of 4-Bromo-1-fluoro-2-methoxybenzene

There total 5 articles about 4-Bromo-1-fluoro-2-methoxybenzene 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%

5-Bromo-2-fluorophenol (112204-58-7) + methyl iodide (74-88-4) → 4-bromo-1-fluoro-2-methoxy-benzene (103291-07-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 65h;

Reference yield: 82.7%

1-bromo-3,4-difluorobenzene (348-61-8) + sodium methylate (124-41-4) → 4-bromo-1-fluoro-2-methoxy-benzene (103291-07-2)

Guidance literature:

In methanol; at 57 ℃; for 4h; Temperature;

Reference yield: 70.0%

4-fluoro-3-methoxyaniline (64465-53-8) → 4-bromo-1-fluoro-2-methoxy-benzene (103291-07-2)

Guidance literature:

4-fluoro-3-methoxyaniline; With hydrogen bromide; sodium nitrite; In water; at 0 - 5 ℃; for 0.25h;

With hydrogen bromide; copper(I) bromide; In water; at 20 - 75 ℃; for 16h;

upstream raw materials:

5-Bromo-2-fluorophenol

methyl iodide

4-fluoro-3-methoxyaniline

dimethyl sulfate

Downstream raw materials:

4-fluoro-3-methoxybenzaldehyde

4-bromo-2-methoxyaniline

Refernces

• 1、 -. "Preparation method of 3-methoxy-4-fluorobenzaldehyde". Paragraph 0023-0026; 0031-0034; 0037-0040. . Retrieved 2021/02/10.
• 2、 -. "BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS". Page/Page column 28. . Retrieved 2010/09/17.