2,4-Difluorophenol

Base Information

• Chemical Name: 2,4-Difluorophenol
• CAS No.: 367-27-1
• Molecular Formula: C6H4F2O
• Molecular Weight: 130.094
• Hs Code.: 29081000
• European Community (EC) Number: 206-688-0
• DSSTox Substance ID: DTXSID50190142
• Nikkaji Number: J193.876B
• Wikidata: Q72463644
• ChEMBL ID: CHEMBL395171
• Mol file: 367-27-1.mol

Synonyms:Phenol, 2,4-difluoro-;

Chemical Property of 2,4-Difluorophenol

Chemical Property:

• Appearance/Colour: clear yellow-green liquid after melting
• Melting Point: 22.4 °C(lit.)
• Refractive Index: n20/D 1.486(lit.)
• Boiling Point: 145.7 °C at 760 mmHg
• PKA: 8.72±0.18(Predicted)
• Flash Point: 56.7 °C
• PSA: 20.23000
• Density: 1.351 g/cm³
• LogP: 1.67040
• Storage Temp.: Flammables area
• Water Solubility.: slightly soluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 130.02302107
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

2,4-Difluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi, C, F
• Hazard Codes: Xn,Xi,C,F
• Statements: 20/21/22-37/38-41-34-11-36/37/38
• Safety Statements: 26-36/37/39-45-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)F)O
• Uses: 2,4-Difluorophenol, is an organic building block used for the synthesis of various pharmaceutical compounds, such as antivirulence agents. It is also used in the synthesis of new α-Phenoxyacetamide derivatives, acting as type III secretion system of Pseudomonas aeruginosa PAO1, a gram-negative bacteria. 2,4-Difluorophenol has been used:as starting reagent during the synthesis of 4,6-difluoro-5,7-dihydroxytryptaminein the synthesis of 3-carboxy-6,8-difluoro-7-hydroxycoumarin (Pacific Blue), fluorinated fluorescent dye

Technology Process of 2,4-Difluorophenol

There total 18 articles about 2,4-Difluorophenol 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: 97.0%

potassium (2,4-difluorophenyl)trifluoroborate → 2,4-difluorophenol (367-27-1)

Guidance literature:

With Oxone; water; In acetone; at 20 ℃; for 0.0333333h;

DOI:10.1021/jo102208d

Reference yield: 94.0%

para-difluorobenzene (540-36-3) → 2,4-difluorophenol (367-27-1) + 2,5-difluorophenol (2713-31-7)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; at 60 ℃; for 0.416667h;

DOI:10.1021/ja505437h

Reference yield: 92.0%

2,4-difluorophenylboronic acid (144025-03-6) → 2,4-difluorophenol (367-27-1)

Guidance literature:

With dihydrogen peroxide; In water; at 20 ℃; chemoselective reaction;

DOI:10.1016/j.apcata.2018.05.037

upstream raw materials:

2,4-difluoro-1-methoxybenzene

2,4-difluorophenylamine

phenol

1,3-Difluorobenzene

Downstream raw materials:

3-(2,4-difluorophenoxy)-4-nitrobenzonitrile

3-(2,4-difluorophenoxy)-4-nitroacetanilide

5-(2,4-difluorophenoxy)-6-nitroindan

C₁₃H₆F₅NO₃

Refernces

• 1、 -. "Tetrahydroquinoline N-oxidation derivative as well as preparation method and application thereof". Paragraph 0165; 0171; 0351-0358. . Retrieved 2019/07/04.
• 2、 Borodkin, Gennady I.,Elanov, Innokenty R.,Shubin, Vyacheslav G.. "Promotional effect of ionic liquids in the electrophilic fluorination of phenols". . p. 60 - 71. Retrieved 2018/02/07.