5-Fluoro-2-methoxyphenol

Base Information

• Chemical Name: 5-Fluoro-2-methoxyphenol
• CAS No.: 72955-97-6
• Molecular Formula: C7H7 F O2
• Molecular Weight: 142.13
• Hs Code.: 2909500000
• European Community (EC) Number: 672-508-6
• DSSTox Substance ID: DTXSID80379100
• Nikkaji Number: J801.754I
• Wikidata: Q72474167
• Mol file: 72955-97-6.mol

Synonyms:5-fluoro-2-methoxyphenol;72955-97-6;4-fluoro-2-hydroxyanisole;2-Hydroxy-4-fluoroanisole;Phenol, 5-fluoro-2-methoxy-;2-methoxy-5-fluorophenol;MFCD00143459;5-Fluoroquaiacol;SCHEMBL366147;DTXSID80379100;PPJKLEQAFZWIQY-UHFFFAOYSA-N;TD1338;5-Fluoro-2-methoxyphenol, AldrichCPR;AKOS005216011;CS-W002426;PS-9004;AC-25982;BP-11124;SY018596;3,4-DIFLUORO-BENZAMIDINEHYDROCHLORIDE;AM20050146;FT-0653051;A19927;EN300-1615086

Chemical Property of 5-Fluoro-2-methoxyphenol

Chemical Property:

• Vapor Pressure: 0.0645mmHg at 25°C
• Boiling Point: 223 ºC
• PKA: 8.97±0.10(Predicted)
• Flash Point: 111 ºC
• PSA: 29.46000
• Density: 1.224
• LogP: 1.53990
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• 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:

97% ^*data from raw suppliers

5-fluoro-2-methoxyphenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Fluoro-2-methoxyphenol

There total 8 articles about 5-Fluoro-2-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: 95.0%

Formic acid 5-fluoro-2-methoxy-phenyl ester (126209-85-6) → 5-fluoro-2-methoxy phenol (72955-97-6)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 3h; Ambient temperature;

Reference yield: 63.0%

(5-fluoro-2-methoxyphenyl)boronic acid (179897-94-0) → 5-fluoro-2-methoxy phenol (72955-97-6)

Guidance literature:

With dihydrogen peroxide; In ethanol; for 2h; Heating;

DOI:10.1021/jm031111m

Reference yield:

2-bromo-4-fluoro-1-methoxybenzene (452-08-4) → 5-fluoro-2-methoxy phenol (72955-97-6)

Guidance literature:

Yield given. Multistep reaction;

upstream raw materials:

2-bromo-4-fluoro-1-methoxybenzene

Formic acid 5-fluoro-2-methoxy-phenyl ester

(5-fluoro-2-methoxyphenyl)boronic acid

1-fluoro-4-methoxybenzene

Downstream raw materials:

2-(5-fluoro-2-methoxy-phenoxy)ethylchloride

(R)-2-(5-fluoro-2-methoxyphenoxymethyl)-N-BOC-pyrrolidine