4-Ethoxy-3-fluorophenol

Base Information

• Chemical Name: 4-Ethoxy-3-fluorophenol
• CAS No.: 98121-48-3
• Molecular Formula: C8H9FO2
• Molecular Weight: 156.157
• Hs Code.: 2909500090
• European Community (EC) Number: 899-271-3
• DSSTox Substance ID: DTXSID00594338
• Wikidata: Q82489138
• Mol file: 98121-48-3.mol

Synonyms:4-Ethoxy-3-fluorophenol;98121-48-3;Phenol, 4-ethoxy-3-fluoro-;3-fluoro-4-ethoxyphenol;4-Ethoxy-3-fluoro-phenol;SCHEMBL1510012;DTXSID00594338;WGANANYZKYVOBZ-UHFFFAOYSA-N;MFCD21984328;AKOS022794291;AS-58030;CS-0194559;EN300-6776915

Chemical Property of 4-Ethoxy-3-fluorophenol

Chemical Property:

• PSA: 29.46000
• LogP: 1.93000
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 156.05865769
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

4-Ethoxy-3-fluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)O)F

Technology Process of 4-Ethoxy-3-fluorophenol

There total 2 articles about 4-Ethoxy-3-fluorophenol 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:

(4-ethoxy-3-fluorophenyl)boronic acid (279263-10-4) → 4-ethoxy-3-fluorophenol (98121-48-3)

Guidance literature:

With dihydrogen peroxide; In tetrahydrofuran; water; at 20 - 35 ℃; for 24h;

Reference yield:

3-fluoro-4-ethoxy bromobenzene (115467-08-8) → 4-ethoxy-3-fluorophenol (98121-48-3)

Guidance literature:

3-fluoro-4-ethoxy bromobenzene; With magnesium; In tetrahydrofuran; at 50 ℃; for 2h; Inert atmosphere;

With Trimethyl borate; In tetrahydrofuran; at -75 - 25 ℃; for 20h; Inert atmosphere;

With dihydrogen peroxide; acetic acid; at 20 - 35 ℃; for 10.5h; Inert atmosphere;

Reference yield: 39.0%

4-ethoxy-3-fluorophenol (98121-48-3) + 1-Iodomethyl-4-(4-pentylcyclohexyl)cyclohexane → 1-ethoxy-2-fluoro-4-(4-(4-pentylcyclohexyl)cyclohexyl)methyloxybenzene

Guidance literature:

NaH; In tetrahydrofuran;

upstream raw materials:

(4-ethoxy-3-fluorophenyl)boronic acid

3-fluoro-4-ethoxy bromobenzene

Downstream raw materials:

3-fluoro-4-ethoxyphenyl methoxymethyl ether

Refernces

• 1、 -. "BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY". Page/Page column 58-59. . Retrieved 2010/11/25.