2-Chloro-6-fluoroanisole

Base Information

• Chemical Name: 2-Chloro-6-fluoroanisole
• CAS No.: 53145-38-3
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.575
• Hs Code.: 2909309090
• European Community (EC) Number: 640-287-5
• DSSTox Substance ID: DTXSID20378571
• Nikkaji Number: J2.433.759F
• Wikidata: Q72450449
• Mol file: 53145-38-3.mol

Synonyms:2-Chloro-6-fluoroanisole;53145-38-3;1-chloro-3-fluoro-2-methoxybenzene;MFCD01631573;1-chloro-3-fluoro-2-methoxy-benzene;2-Chloro-6-fluoro anisole;SCHEMBL1703057;DTXSID20378571;1-Fluoro-2-methoxy-3-chlorobenzene;AKOS006227787;2-Chloro-6-fluorophenol, methyl ether;CS-W013269;PS-8769;A7737;AM20050268;FT-0676212;1-Chloro-3-fluoro-2-methoxybenzene, AldrichCPR;EN300-7304882

Chemical Property of 2-Chloro-6-fluoroanisole

Chemical Property:

• Vapor Pressure: 0.913mmHg at 25°C
• Refractive Index: 1.495
• Boiling Point: 186.4 °C at 760 mmHg
• Flash Point: 66.5 °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:

98+% ^*data from raw suppliers

2-Chloro-6-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=C1Cl)F

Technology Process of 2-Chloro-6-fluoroanisole

There total 3 articles about 2-Chloro-6-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: 94.0%

2-chloro-6-fluorophenol (2040-90-6) + methyl iodide (74-88-4) → 1-chloro-3-fluoro-2-methoxybenzene (53145-38-3)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 20 ℃; for 3h;

Reference yield:

3-chloro-2-methoxyaniline (51114-68-2) → 1-chloro-3-fluoro-2-methoxybenzene (53145-38-3)

Guidance literature:

3-chloro-2-methoxyaniline; With hydrogenchloride; In water; at 50 ℃; for 0.5h;

With sodium nitrite; In water; at 0 ℃; for 2h;

With tetrafluoroboric acid; In water; for 1h; Temperature; Reagent/catalyst;

Reference yield:

1,2-Dichloro-3-nitrobenzene (3209-22-1) → 1-chloro-3-fluoro-2-methoxybenzene (53145-38-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: diisopropylamine / methanol / 5 h / 60 °C

2.1: hydrogen; 1% platinum on charcoal / toluene / 18 h / 40 °C / 3375.34 Torr / Autoclave

3.1: hydrogenchloride / water / 0.5 h / 50 °C

3.2: 2 h / 0 °C

3.3: 1 h

With hydrogenchloride; 1% platinum on charcoal; hydrogen; diisopropylamine; In methanol; water; toluene;

upstream raw materials:

2-chloro-6-fluorophenol

methyl iodide

1,2-Dichloro-3-nitrobenzene

3-chloro-2-methoxyaniline

Downstream raw materials:

2-chloro-6-fluorophenol

1-(3-chloro-5-fluoro-4-methoxyphenyl)-1-hexanone

α-bis-(2-Fluor-6-chlorphenoxy)essigsaeure

6-(4-chloro-2-fluoro-3-methoxyphenyl)-4-oxo-5,6-dihydro-4H-pyridine-1,2-dicarboxylic acid 2-methyl ester 1-phenyl ester