2-(4-Fluorobenzyl)phenol

Base Information

• Chemical Name: 2-(4-Fluorobenzyl)phenol
• CAS No.: 401-30-9
• Molecular Formula: C13H11FO
• Molecular Weight: 202.228
• NSC Number: 87336
• DSSTox Substance ID: DTXSID20960551
• Wikidata: Q82941771
• Mol file: 401-30-9.mol

Synonyms:401-30-9;2-(4-fluorobenzyl)phenol;2-[(4-fluorophenyl)methyl]phenol;NSC87336;NCIOpen2_005168;SCHEMBL2577181;DTXSID20960551;XMPYZRODFDIJPK-UHFFFAOYSA-N;NSC-87336

Chemical Property of 2-(4-Fluorobenzyl)phenol

Chemical Property:

• Vapor Pressure: 0.000259mmHg at 25°C
• Boiling Point: 314°C at 760 mmHg
• Flash Point: 180.8°C
• Density: 1.179g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.079393132
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC2=CC=C(C=C2)F)O

Technology Process of 2-(4-Fluorobenzyl)phenol

There total 9 articles about 2-(4-Fluorobenzyl)phenol 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%

→ 2-(4-fluorobenzyl)phenol (401-30-9)

Guidance literature:

Reference yield: 81.0%

2-((4-fluorophenyl)(hydroxy)methyl)phenol (181711-43-3,181711-44-4) → 2-(4-fluorobenzyl)phenol (401-30-9)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 3h;

Reference yield: 77.0%

C20H17FO2 (944649-89-2) → 2-(4-fluorobenzyl)phenol (401-30-9)

Guidance literature:

With hydrogenchloride; hydrogen; palladium(II) hydroxide; In methanol; water; ethyl acetate; at 20 ℃; for 15h;

DOI:10.1016/j.bmc.2011.08.005

upstream raw materials:

sodium phenoxide

1-chloromethyl-4-fluorobenzene

2-(4-fluorobenzylidene)cyclohexanone

C₂₀H₁₇FO₂

Refernces

• 1、 Bering, Luis,Jeyakumar, Kirujan,Antonchick, Andrey P.. "Metal-Free C-O Bond Functionalization: Catalytic Intramolecular and Intermolecular Benzylation of Arenes". . p. 3911 - 3914. Retrieved 2018/07/22.
• 2、 -. "METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND". . . Retrieved 2008/06/13.