2-Tert-butyl-4-fluorophenol

Base Information

• Chemical Name: 2-Tert-butyl-4-fluorophenol
• CAS No.: 357611-22-4
• Molecular Formula: C10H13FO
• Molecular Weight: 168.211
• European Community (EC) Number: 960-917-5
• Nikkaji Number: J1.434.397K
• Mol file: 357611-22-4.mol

Synonyms:2-TERT-BUTYL-4-FLUOROPHENOL;357611-22-4;2-(tert-Butyl)-4-fluorophenol;SCHEMBL395584;FCERNOPRZOOFSL-UHFFFAOYSA-N;AKOS015890987;MB14954;C91646;EN300-7828465;A1-08600

Chemical Property of 2-Tert-butyl-4-fluorophenol

Chemical Property:

• Boiling Point: 221.2±20.0 °C(Predicted)
• PKA: 11.35±0.18(Predicted)
• PSA: 20.23000
• Density: 1.059±0.06 g/cm3(Predicted)
• LogP: 2.82880
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.095043196
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

≥98% ^*data from raw suppliers

2-tert-Butyl-4-fluorophenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Tert-butyl-4-fluorophenol

There total 4 articles about 2-Tert-butyl-4-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: 68.0%

2,4-di-tert-Butylphenol (96-76-4) → 2-(tert-butyl)-4-fluorophenol (357611-22-4)

Guidance literature:

2,4-di-tert-Butylphenol; With [bis(acetoxy)iodo]benzene; pyridine hydrogenfluoride; In dichloromethane; at 20 ℃; for 0.25h;

With trifluoroacetic acid; In dichloromethane; for 0.166667h;

DOI:10.1002/anie.201201502

Reference yield: 61.0%

2,4-di-tert-butyl-4-fluorocyclohexa-2,5-dien-1-one → 2-(tert-butyl)-4-fluorophenol (357611-22-4)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 40 ℃; for 8h;

DOI:10.1135/cccc20021467

Reference yield: 60.0%

4-Fluorophenol (371-41-5) + tert-butyl alcohol (75-65-0) → 2-(tert-butyl)-4-fluorophenol (357611-22-4)

Guidance literature:

With sulfuric acid; for 16h;

DOI:10.1021/jacs.6b03113

upstream raw materials:

2,4-di-tert-Butylphenol

4-Fluorophenol

tert-butyl alcohol

Downstream raw materials:

2-tert-butyl-6-([bispyridin-2-ylmethyl-amino]-methyl)-4-fluorophenol

2-tert-butyl-4-fluorophenyl methyl carbonate

C₂₄H₂₈FN₃O

2-tert-butyl-5-amino-4-fluorophenol