2-Bromo-3-fluoroanisole

Base Information

• Chemical Name: 2-Bromo-3-fluoroanisole
• CAS No.: 446-59-3
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.026
• Hs Code.: 2909309090
• European Community (EC) Number: 674-998-7
• DSSTox Substance ID: DTXSID20381383
• Wikidata: Q72455726
• Mol file: 446-59-3.mol

Synonyms:2-Bromo-3-fluoroanisole;446-59-3;2-bromo-1-fluoro-3-methoxybenzene;MFCD03788540;2-bromo-1-fluoro-3-methoxy-benzene;3-Methyladipoylchloride;2-bromo-3-fluoroanisol;2-bromo-3-fluoro-anisole;2-Bromo-3-fluoro anisole;SCHEMBL1204331;DTXSID20381383;RNUBPKHSQXYYCV-UHFFFAOYSA-N;CL8585;AKOS005255946;AC-3755;CS-W001103;SY017252;A1703;AM20050309;FT-0648103;EN300-141400;11P-122;Q-200243

Chemical Property of 2-Bromo-3-fluoroanisole

Chemical Property:

• Vapor Pressure: 0.577mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 189.2 °C at 760 mmHg
• Flash Point: 81.1 °C
• PSA: 9.23000
• Density: 1.531 g/cm³
• LogP: 2.59680
• Storage Temp.: 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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-3-fluoroanisole

There total 4 articles about 2-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: 90.0%

2-bromo-3-fluorophenol (443-81-2) + methyl iodide (74-88-4) → 2‐bromo‐1‐fluoro‐3‐methoxybenzene (446-59-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1016/j.ejmech.2014.10.073

Reference yield: 36.4%

1-fluoro-3-methoxybenzene (456-49-5) → 1-bromo-2-fluoro-4-methoxybenzene (458-50-4) + 2‐bromo‐1‐fluoro‐3‐methoxybenzene (446-59-3)

Guidance literature:

With (CH₃)4Br; In liquid sulphur dioxide; at -23 ℃; Rate constant; Product distribution;

DOI:10.1002/hlca.19830660410

Reference yield:

1-fluoro-3-methoxy-2-nitrobenzene (641-49-6) → 2‐bromo‐1‐fluoro‐3‐methoxybenzene (446-59-3)

Guidance literature:

Multi-step reaction with 2 steps

1: iron; aqueous acetic acid

2: Diazotization

With iron; acetic acid;

upstream raw materials:

2-fluoro-6-methoxyphenylamine

1-fluoro-3-methoxybenzene

1-fluoro-3-methoxy-2-nitrobenzene

2-bromo-3-fluorophenol

Downstream raw materials:

9-(2-fluoro-6-methoxyphenyl)phenanthrene

3-bromo-2-fluoro-4-methoxybenzaldehyde

2-bromo-4-(bromomethyl)-3-fluoro-1-methoxybenzene

1-(4-(3-bromo-2-fluoro-4-methoxybenzyl)phenyl)urea

Refernces

• 1、 Karl, Johann,Gust, Ronald,Spruss, Thilo,Schneider, Martin R.,Schoenenberg, Helmut,et al.. "Ring-Substituted y1,2-Bis(4-hydroxyphenyl)ethylenediamine>dichloroplatinum(II) Complexes: Compounds with a Selective Effect on the Hormone-Dependent Mammary Carcinoma". . p. 72 - 83. Retrieved 2007/10/02.