2-Fluoro-5-methylanisole

Base Information

• Chemical Name: 2-Fluoro-5-methylanisole
• CAS No.: 63762-78-7
• Molecular Formula: C8H9FO
• Molecular Weight: 140.15
• Hs Code.: 2909309090
• European Community (EC) Number: 620-855-9
• DSSTox Substance ID: DTXSID50372022
• Nikkaji Number: J3.214.372E
• Wikidata: Q82159600
• Mol file: 63762-78-7.mol

Synonyms:2-fluoro-5-methylanisole

Chemical Property of 2-Fluoro-5-methylanisole

Chemical Property:

• Vapor Pressure: 1.1mmHg at 25°C
• Refractive Index: n20/D 1.4950(lit.)
• Boiling Point: 182.5 °C at 760 mmHg
• Flash Point: 63.7 °C
• PSA: 9.23000
• Density: 1.046 g/cm³
• LogP: 2.14270
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.063743068
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-5-methylanisole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)F)OC

Technology Process of 2-Fluoro-5-methylanisole

There total 6 articles about 2-Fluoro-5-methylanisole 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: 84.0%

2-fluoro-5-methylphenol (63762-79-8) + dimethyl sulfate (77-78-1) → 1-fluoro-2-methoxy-4-methylbenzene (63762-78-7)

Guidance literature:

With potassium carbonate; In acetone; for 5h; Heating;

DOI:10.1021/jm00171a014

Reference yield:

3-methoxy-4-nitrotoluene (38512-82-2) → 1-fluoro-2-methoxy-4-methylbenzene (63762-78-7)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C / ethanol

2: (i) aq. NaNO₂, HCl, (ii) aq. HPF₆, (iii) (heating)

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00187a015

Reference yield:

3-amino-4-fluorotoluene (452-84-6) → 1-fluoro-2-methoxy-4-methylbenzene (63762-78-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 6 M sulfuric acid, NaNO₂, 2.) CuSO₄*5H₂O, 96percent H₂SO₄ / 1.) water, 2.) 165 deg C

2: 84 percent / K₂CO₃ / acetone / 5 h / Heating

With sulfuric acid; potassium carbonate; copper(II) sulfate; sodium nitrite; In acetone;

DOI:10.1021/jm00171a014

upstream raw materials:

2-methoxy-4-methylaniline

2-fluoro-5-methylphenol

dimethyl sulfate

3-amino-4-fluorotoluene

Downstream raw materials:

2-fluoro-3-methoxy-5-methylbenzoic acid

2-fluoro-3-methoxy-5-methylphenol

1-bromo-5-fluoro-4-methoxy-2-methylbenzene

methyl 4-((2-fluoro-3-methoxy-5-methylphenyl)sulfanyl)-3-oxobutanoate

Refernces

• 1、 Flaugh,Crowell,Clemens,Sawyer. "Synthesis and evaluation of the antiovulatory activity of a variety of melatonin analogues". . p. 63 - 69. Retrieved 2007/10/04.
• 2、 -. "Amides as ovulation inhibitors". . . Retrieved 2008/06/13.