4-Phenethylphenol

Base Information

• Chemical Name: 4-Phenethylphenol
• CAS No.: 6335-83-7
• Molecular Formula: C14H14O
• Molecular Weight: 198.265
• Hs Code.: 2907199090
• NSC Number: 38822
• UNII: Z2R473T5JN
• DSSTox Substance ID: DTXSID2022460
• Nikkaji Number: J102.224E
• Wikidata: Q27116028
• ChEMBL ID: CHEMBL1795580
• Mol file: 6335-83-7.mol

Synonyms:4-Phenylethylphenol;Phenol,p-phenethyl;BIDD:ER0184;1-phenyl-2-p-hydroxyphenylethane;4-Phenethylphenol;

Chemical Property of 4-Phenethylphenol

Chemical Property:

• Vapor Pressure: 0.000197mmHg at 25°C
• Boiling Point: 318.2°C at 760 mmHg
• Flash Point: 150.8°C
• PSA: 20.23000
• Density: 1.093g/cm³
• LogP: 3.17740
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC2=CC=C(C=C2)O

Technology Process of 4-Phenethylphenol

There total 28 articles about 4-Phenethylphenol 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: 86.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + p-benzyloxyphenylbromide (6793-92-6) → 4-(2-phenylethyl)phenol (6335-83-7)

Guidance literature:

styrene; p-benzyloxyphenylbromide; With 5% Pd(II)/C(eggshell); sodium acetate; In 1-methyl-pyrrolidin-2-one; at 140 ℃; for 24h;

With 5% Pd(II)/C(eggshell); hydrogen; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 24h; under 750.075 Torr;

DOI:10.2174/157017809787003043

Reference yield: 43.0%

p-Iodophenol (540-38-5) + 1-phenyl-2-bromoethane (103-63-9) → 4-(2-phenylethyl)phenol (6335-83-7)

Guidance literature:

With pyridine; ethyl crotonate; nickel dichloride; zinc; In acetonitrile; at 20 ℃; for 8h; Inert atmosphere;

DOI:10.1002/chem.201200190

Reference yield:

1,1'-(1,2-ethanediyl)bisbenzene (103-29-7) → 1,2-Diphenylethanol (5773-56-8,614-29-9) + 4-(2-phenylethyl)phenol (6335-83-7) + benzaldehyde (100-52-7) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With perchloric acid; Fe(ClO₄); peroxodisulfate ion; copper(II) perchlorate; In water; acetonitrile; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1021/jo00183a023

upstream raw materials:

methyl magnesium iodide

diethyl ether

1-(4-methoxyphenyl)-2-phenylethane

1-(4-Hydroxyphenyl)-2-phenylethanone

Downstream raw materials:

1-(2-bibenzyl-4-yloxy-propyl)-piperidine

4-(2-bibenzyl-4-yloxy-ethyl)-morpholine

1-(2-bibenzyl-4-yloxy-ethyl)-piperidine

(2-bibenzyl-4-yloxy-ethyl)-dimethyl-amine