2-Fluoro-4-methoxyphenol

Base Information

• Chemical Name: 2-Fluoro-4-methoxyphenol
• CAS No.: 167683-93-4
• Molecular Formula: C7H7FO2
• Molecular Weight: 142.13
• Hs Code.: 2909500000
• DSSTox Substance ID: DTXSID70379098
• Wikidata: Q72474157
• Mol file: 167683-93-4.mol

Synonyms:2-Fluoro-4-methoxyphenol;167683-93-4;Phenol, 2-fluoro-4-methoxy-;3-Fluoro-4-hydroxyanisole;MFCD00070796;2-fluoro-4-methoxy-phenol;2-fluoranyl-4-methoxy-phenol;SCHEMBL459327;DTXSID70379098;FCJHBXCQIOVMEM-UHFFFAOYSA-N;AMY28070;AKOS005254570;PS-9005;CS-0150491;F0634;FT-0647699;EN300-1830590;A810894;W-205970

Chemical Property of 2-Fluoro-4-methoxyphenol

Chemical Property:

• Vapor Pressure: 0.235mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 199.9 °C at 760 mmHg
• PKA: 9.19±0.18(Predicted)
• Flash Point: 100.6 °C
• PSA: 29.46000
• Density: 1.224 g/cm³
• LogP: 1.53990
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.04300762
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

2-Fluoro-4-methoxyphenol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoro-4-methoxyphenol

There total 7 articles about 2-Fluoro-4-methoxyphenol 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%

NH3 (aq) + 1-(2-fluoro-4-methoxyphenyl)-1-ethanone (74457-86-6) → 2-fluoro-4-methoxy-phenol (167683-93-4)

Guidance literature:

In methanol;

Reference yield: 94.0%

2-fluoro-4-methoxyphenyl acetate (181305-63-5) → 2-fluoro-4-methoxy-phenol (167683-93-4)

Guidance literature:

With ammonium hydroxide; In methanol; for 1h; Ambient temperature;

DOI:10.1021/jm950639r

Reference yield: 75.0%

2-(2-fluoro-4-methoxyphenoxy)pyridine → 2-fluoro-4-methoxy-phenol (167683-93-4)

Guidance literature:

2-(2-fluoro-4-methoxyphenoxy)pyridine; With methyl trifluoromethanesulfonate; In toluene; at 100 ℃; for 2h; Inert atmosphere;

With sodium ethanolate; for 1h; Reflux; Inert atmosphere;

upstream raw materials:

2-fluoro-4-methoxyphenyl acetate

4-bromo-2-fluorophenol

sodium methylate

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

Downstream raw materials:

ethyl 2-(2-fluoro-4-methoxyphenoxy)-2-methylpropionate

Refernces

• 1、 Zhu, Runqing,Sun, Qianqian,Li, Jing,Li, Luohao,Gao, Qinghe,Wang, Yakun,Fang, Lizhen. "Para -Selective hydroxylation of alkyl aryl ethers". supporting information. p. 13190 - 13193. Retrieved 2021/12/16.
• 2、 Edsall Jr., Richard J,Harris, Heather A,Manas, Eric S,Mewshaw, Richard E. "ERbeta ligands. Part 1: the discovery of ERbeta selective ligands which embrace the 4-hydroxy-biphenyl template.". . p. 3457 - 3474. Retrieved 2007/10/03.