2-Fluoro-4-methylphenol

Base Information

• Chemical Name: 2-Fluoro-4-methylphenol
• CAS No.: 452-81-3
• Molecular Formula: C7H7 F O
• Molecular Weight: 126.13
• Hs Code.: 2908199090
• European Community (EC) Number: 642-586-6
• DSSTox Substance ID: DTXSID90380969
• Nikkaji Number: J2.315.970H
• Wikidata: Q82171485
• Mol file: 452-81-3.mol

Synonyms:2-Fluoro-4-methylphenol;452-81-3;MFCD03094332;2-Fluoro-p-cresol;3-Fluoro-4-hydroxytoluene;2-fluoro-4-methyl-phenol;SCHEMBL130630;DTXSID90380969;WJKISRFVKIOBCQ-UHFFFAOYSA-N;BBL101269;STL555065;2-fluoro-4-methylphenol, AldrichCPR;AKOS005257860;AC-3798;AM62530;CS-W003002;PS-9179;SY018277;EN300-160309;A872404

Chemical Property of 2-Fluoro-4-methylphenol

Chemical Property:

• Vapor Pressure: 0.967mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 173°Cat760mmHg
• PKA: 9.01±0.18(Predicted)
• Flash Point: 66.4°C
• PSA: 20.23000
• Density: 1.164g/cm³
• LogP: 1.83970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.048093005
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 20/21/22-34-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)F

Technology Process of 2-Fluoro-4-methylphenol

There total 8 articles about 2-Fluoro-4-methylphenol 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: 82.0%

2-(2-fluoro-4-methylphenoxy)pyridine → 2-fluoro-4-methylphenole (452-81-3)

Guidance literature:

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

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

Reference yield: 67.0%

2-fluoro-4-methylphenylboronic acid (170981-26-7) → 2-fluoro-4-methylphenole (452-81-3)

Guidance literature:

With dihydrogen peroxide; Cd⁽²⁺⁾*2C₂₄H₂₀N₄O₂*2Cl^(1-)*2H₂O; In water; acetonitrile; at 20 ℃; for 0.25h; Reagent/catalyst; Catalytic behavior;

DOI:10.1002/asia.202101204

Reference yield: 42.1%

p-cresol (106-44-5) → 2-fluoro-4-methylphenole (452-81-3) + 4-fluoro-4-methylcyclohexa-2,5-dien-1-one (77249-33-3)

Guidance literature:

With fluorine; In various solvent(s); at -20 ℃; for 2h;

DOI:10.1016/S0022-1139(00)85261-6

upstream raw materials:

2-fluoro-4-methylaniline

p-cresol

2-fluoro-4-methyl-1-nitrobenzene

2-(4-methylphenoxy)pyridine

Downstream raw materials:

2-fluoro-6-methyl-3-triisopropylsilyloxy-benzoic acid

1,3-bis(2-fluoro-6-methyl-3-triisopropylsilyloxyphenyl)urea

(2-fluoro-4-methylphenoxy)triisopropyl-silane

Refernces

• 1、 Rani, Pooja,Husain, Ahmad,Bhasin,Kumar, Girijesh. "Coordination Polymers as a Functional Material for the Selective Molecular Recognition of Nitroaromatics and ipso-Hydroxylation of Arylboronic Acids". . . Retrieved 2021/12/06.
• 2、 Pravst, Igor,Stavber, Stojan. "Fluorination of 4-alkyl-substituted phenols and aromatic ethers with fluoroxy and N-F reagents: Cesium fluoroxysulfate and N-fluoro-1,4-diazonia- bicyclo[2.2.2]octane dication salts case Dedicated to Prof. Dr. Boris ?emva in honor to his great contribution to fluorine chemistry.". . p. 276 - 282. Retrieved 2014/01/06.