4-Chloro-3-fluoroanisole

Base Information

• Chemical Name: 4-Chloro-3-fluoroanisole
• CAS No.: 501-29-1
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.575
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID20369146
• Nikkaji Number: J382.964B
• Wikidata: Q72450451
• Mol file: 501-29-1.mol

Synonyms:4-Chloro-3-fluoroanisole;501-29-1;1-chloro-2-fluoro-4-methoxybenzene;3-Fluoro-4-chloroanisole;MFCD00042570;Benzene, 1-chloro-2-fluoro-4-methoxy-;chloro-2-fluoro-4-methoxybenzene;SCHEMBL276095;SCHEMBL12015245;DTXSID20369146;BBL101409;STL555205;AKOS005258284;AM62549;CS-W010874;PS-8771;BP-11135;SY021841;FT-0618063;A19906;EN300-650547

Chemical Property of 4-Chloro-3-fluoroanisole

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 6.332mmHg at 25°C
• Refractive Index: 1.516-1.518
• Boiling Point: 176.9 °C at 760 mmHg
• Flash Point: 60.8 °C
• PSA: 9.23000
• Density: 1.239 g/cm³
• LogP: 2.48770
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.0091207
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-3-fluoroanisole

There total 4 articles about 4-Chloro-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: 85.84%

4-chloro-3-fluorophenol (348-60-7) + methyl iodide (74-88-4) → 1-chloro-2-fluoro-4-methoxybenzene (501-29-1)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 16h;

Reference yield:

1-chloro-2,4-difluorobenzene (1435-44-5) + potassium methanolate (865-33-8) → 1-chloro-2-fluoro-4-methoxybenzene (501-29-1) + 1-chloro-4-fluoro-2-methoxybenzene (450-89-5)

Guidance literature:

With potassium tert-butylate; In 1,4-dioxane; at 20 ℃; for 5h; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.03.204

Reference yield:

2-fluoro-4-methoxy-1-nitro-benzene (446-38-8) → 1-chloro-2-fluoro-4-methoxybenzene (501-29-1)

Guidance literature:

Multi-step reaction with 2 steps

1: iron-powder; aqueous acetic acid

2: Diazotization

With iron; acetic acid;

upstream raw materials:

2-fluoro-4-(methoxy)aniline

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

1-chloro-2,4-difluorobenzene

potassium methanolate

Downstream raw materials:

1-(5-chloro-4-fluoro-2-methoxyphenyl)ethanone

1-chloro-2,4-dimethoxybenzene

1-bromo-5-chloro-4-fluoro-2-methoxybenzene