5-Ethyl-2-fluorophenol

Base Information

• Chemical Name: 5-Ethyl-2-fluorophenol
• CAS No.: 891843-05-3
• Molecular Formula: C8H9FO
• Molecular Weight: 140.157
• DSSTox Substance ID: DTXSID70595776
• Wikidata: Q82490857
• Mol file: 891843-05-3.mol

Synonyms:5-ETHYL-2-FLUOROPHENOL;891843-05-3;5-Ethyl-2-fluoro-phenol;MFCD16997682;Phenol, 5-ethyl-2-fluoro-;SCHEMBL241420;DTXSID70595776;MHGSGAMJZBVTNG-UHFFFAOYSA-N;AM9639;AKOS025213106;MB23840;DA-01451;CS-0180975;F30470;A934664;A1-22549

Chemical Property of 5-Ethyl-2-fluorophenol

Chemical Property:

• PSA: 20.23000
• LogP: 2.09370
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• 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

5-Ethyl-2-fluorophenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1)F)O

Technology Process of 5-Ethyl-2-fluorophenol

There total 2 articles about 5-Ethyl-2-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: 65.1%

diethylzinc (557-20-0) + 5-Bromo-2-fluorophenol (112204-58-7) → 5-ethyl-2-fluoro-phenol (891843-05-3)

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; In tetrahydrofuran; at 10 - 50 ℃; Inert atmosphere;

Reference yield:

(5-ethyl-2-fluorophenyl)boronic acid (900175-03-3) → 5-ethyl-2-fluoro-phenol (891843-05-3)

Guidance literature:

With dihydrogen peroxide; In tetrahydrofuran; hexane; water; at 0 ℃; for 2h;

Reference yield: 100.0%

5-ethyl-2-fluoro-phenol (891843-05-3) → 4-bromo-5-ethyl-2-fluoro-phenol (1421503-38-9)

Guidance literature:

With copper(ll) bromide; In acetonitrile; at 20 ℃;

upstream raw materials:

(5-ethyl-2-fluorophenyl)boronic acid

diethylzinc

5-Bromo-2-fluorophenol

Downstream raw materials:

tert-butyl(5-ethyl-2-fluorophenoxy)dimethylsilane

4-bromo-5-ethyl-2-fluoro-phenol

(2-((4-bromo-5-ethyl-2-fluorophenoxy)methoxy)ethyl)-trimethylsilane

(2-{[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-ethyl-phenoxy]methoxy}ethyl)(trimethyl)silane

Refernces

• 1、 -. "2-AZABICYCLO HEXANE JAK INHIBITOR COMPOUND". Paragraph 0175. . Retrieved 2020/05/14.
• 2、 -. "PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS". Page/Page column 195. . Retrieved 2008/06/13.