2,6-Dicyclopentylphenol

Base Information

• Chemical Name: 2,6-Dicyclopentylphenol
• CAS No.: 66003-79-0
• Molecular Formula: C16H22O
• Molecular Weight: 230.35
• Hs Code.: 2907199090
• European Community (EC) Number: 266-052-3
• DSSTox Substance ID: DTXSID20984479
• Nikkaji Number: J349.304K
• Wikidata: Q82971727
• ChEMBL ID: CHEMBL111140
• Mol file: 66003-79-0.mol

Synonyms:2,6-Dicyclopentylphenol;66003-79-0;EINECS 266-052-3;CHEMBL111140;2,6-Dicyclopentyl-phenol;Phenol, 2,6-dicyclopentyl-;SCHEMBL4960831;DTXSID20984479;AMY14741;BDBM50409552

Chemical Property of 2,6-Dicyclopentylphenol

Chemical Property:

• Vapor Pressure: 0.00461mmHg at 25°C
• Refractive Index: 1.571
• Boiling Point: 268.6°C at 760mmHg
• PKA: 10.78±0.50(Predicted)
• Flash Point: 122.8°C
• PSA: 20.23000
• Density: 1.072g/cm³
• LogP: 4.70740
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 230.167065321
• Heavy Atom Count: 17
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)C2=C(C(=CC=C2)C3CCCC3)O

Technology Process of 2,6-Dicyclopentylphenol

There total 6 articles about 2,6-Dicyclopentylphenol 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:

cyclopentene (142-29-0) + phenol (108-95-2,27073-41-2) → 2-cyclopentylphenol (1518-84-9) + 4-cyclopentylphenol (1518-83-8) + 2,6-dicyclopentyl-phenol (66003-79-0) + cyclopentyl phenyl ether (33186-68-4) + 2,4-dicyclopentylphenol (52938-91-7)

Guidance literature:

With glyceryl sulfate; at 80 ℃; for 2.5h; Product distribution; oth. temperature, oth. ratio of reactants, oth. time;

Reference yield:

4-Brom-2,6-dicyclopentylphenol → 2,6-dicyclopentyl-phenol (66003-79-0)

Guidance literature:

With hydrazine hydrate; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00218a004

Reference yield:

4-bromo-phenol (106-41-2) → 2,6-dicyclopentyl-phenol (66003-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄

2: aq. N₂H₄ / Pd-C / ethanol

With sulfuric acid; hydrazine hydrate; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00218a004

upstream raw materials:

cyclopentene

phenol

4-bromo-phenol

4-hydroxy-benzoic acid

Refernces

• 1、 Drabkin, A. E.,Fedotov, A. S.,Fedotova, N. F.. "ALKYLATION OF PHENOL WITH CYCLOOLEFINS IN THE PRESENCE OF GLYCERYL SULFATE". . p. 698 - 700. Retrieved 2007/10/02.