5-Fluoro-2-methylphenol

Base Information

• Chemical Name: 5-Fluoro-2-methylphenol
• CAS No.: 452-85-7
• Molecular Formula: C7H7 F O
• Molecular Weight: 126.13
• Hs Code.: 29081990
• DSSTox Substance ID: DTXSID20379129
• Nikkaji Number: J801.751D
• Wikidata: Q72474723
• Mol file: 452-85-7.mol

Synonyms:5-Fluoro-2-methylphenol;452-85-7;4-Fluoro-2-hydroxytoluene;5-Fluoro-o-cresol;5-fluoro-2-methyl-phenol;5-fluoranyl-2-methyl-phenol;2-methyl-5-fluorophenol;SCHEMBL129788;DTXSID20379129;CKJOSIHYVLHIER-UHFFFAOYSA-N;BBL100627;CL8510;MFCD00673009;STL554421;5-Fluoro-2-methylphenol, AldrichCPR;AKOS005254864;AC-3098;CS-W011163;PS-9181;BP-10225;A1710;AM20060356;F0632;FT-0620403;EN300-112615;A826761

Chemical Property of 5-Fluoro-2-methylphenol

Chemical Property:

• Vapor Pressure: 0.427mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 188.7°Cat760mmHg
• PKA: 9.32±0.10(Predicted)
• Flash Point: 79.2°C
• PSA: 20.23000
• Density: 1.164g/cm³
• LogP: 1.83970
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• 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% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

Useful:

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

Technology Process of 5-Fluoro-2-methylphenol

There total 5 articles about 5-Fluoro-2-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: 99.0%

3-fluoro-6-methylaniline (367-29-3) → 5-fluoro-2-methylphenol (452-85-7)

Guidance literature:

3-fluoro-6-methylaniline; With sulfuric acid; sodium nitrite; In water; at 0 ℃; for 0.916667h;

With sulfuric acid; sodium sulfate; urea; In water; at 130 ℃; for 0.25h;

Reference yield: 89.0%

2-chloro-4-fluorotoluene (452-73-3) → 5-fluoro-2-methylphenol (452-85-7)

Guidance literature:

With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; cesiumhydroxide monohydrate; In tetrahydrofuran; at 24 ℃; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/adsc.201300088

Reference yield:

C13H17FO2 → 5-fluoro-2-methylphenol (452-85-7)

Guidance literature:

With toluene-4-sulfonic acid; at 60 ℃; for 5h;

upstream raw materials:

3-fluoro-6-methylaniline

2-chloro-4-fluorotoluene

p-fluorotoluene

Downstream raw materials:

C₂₄H₂₃F₂N₅O₂

C₁₈H₁₄F₂N₄O

5-fluoro-2-methyl-4-nitrophenol

2,4-Dimethyl-3-hydroxyfluorbenzol

Refernces

• 1、 Lavery, Christopher B.,Rotta-Loria, Nicolas L.,McDonald, Robert,Stradiotto, Mark. "Pd2dba3/Bippyphos: A robust catalyst system for the hydroxylation of aryl halides with broad substrate scope". supporting information. p. 981 - 987. Retrieved 2013/05/08.
• 2、 -. "Compounds that modulate PPAR activity and methods of preparation". . . Retrieved 2008/06/13.