2-Bromo-5-fluoroanisole

Base Information

• Chemical Name: 2-Bromo-5-fluoroanisole
• CAS No.: 450-88-4
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.026
• Hs Code.: 29093090
• European Community (EC) Number: 626-484-9
• DSSTox Substance ID: DTXSID00426943
• Nikkaji Number: J1.905.138B
• Wikidata: Q72455709
• Mol file: 450-88-4.mol

Synonyms:2-Bromo-5-fluoroanisole;450-88-4;1-bromo-4-fluoro-2-methoxybenzene;Benzene, 1-bromo-4-fluoro-2-methoxy-;MFCD04973752;1-bromo-4-fluoro-2-methoxy-benzene;SCHEMBL1204321;bromo-4-fluoro-2-methoxybenzene;2-Bromo-5-fluoroanisole, 99%;DTXSID00426943;1-bromo4-fluoro-2-methoxybenzene;2-Methoxy4-fluoro-1-bromobenzene;KGYXKRGMSUHYCY-UHFFFAOYSA-N;1-Bromo-2-methoxy-4-fluorobenzene;l-bromo-4-fluoro-2-methoxy-benzene;TD1093;AKOS005257891;AC-9663;AM61549;CS-W007814;SY014353;B3875;FT-0632144;EN300-79960;12P-143;J-508366;ETHYL8-FLUORO-2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE

Chemical Property of 2-Bromo-5-fluoroanisole

Chemical Property:

• Vapor Pressure: 0.849mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 187.9 °C at 760 mmHg
• Flash Point: 80.2 °C
• PSA: 9.23000
• Density: 1.531 g/cm³
• LogP: 2.59680
• Storage Temp.: 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-5-fluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-5-fluoroanisole

There total 15 articles about 2-Bromo-5-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: 100.0%

dimethyl sulfate (77-78-1) + 2-bromo-5-fluorophenol (147460-41-1) → 1-bromo-4-fluoro-2-methoxybenzene (450-88-4)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 2h;

Reference yield: 93.0%

2-bromo-5-fluorophenol (147460-41-1) + methyl iodide (74-88-4) → 1-bromo-4-fluoro-2-methoxybenzene (450-88-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield: 93.0%

4-fluoro-2-methoxyaniline (450-91-9) → 1-bromo-4-fluoro-2-methoxybenzene (450-88-4)

Guidance literature:

4-fluoro-2-methoxyaniline; With sodium nitrite; In water; at -5 - 0 ℃;

With hydrogen bromide; copper(I) bromide; In water; at 105 ℃;

upstream raw materials:

4-fluoro-2-methoxyaniline

1-fluoro-3-methoxybenzene

N-Formylpiperidine

4-fluoro-2-methoxy-1-nitrobenzene

Downstream raw materials:

C₁₅H₁₅BrO₃

1-[(5-fluoro-2-methoxyphenyl) thio]-2-propanone

2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-2-ol

1-bromo-4-fluoro-2-methoxy-5-(propan-2-yl)-benzene

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、 -. "INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL". Paragraph 0166; 0168. . Retrieved 2016/10/06.