4-(1-Phenylethyl)phenol

Base Information

• Chemical Name: 4-(1-Phenylethyl)phenol
• CAS No.: 1988-89-2
• Molecular Formula: C₁₄H₁₄O
• Molecular Weight: 198.265
• Hs Code.: 2907199090
• European Community (EC) Number: 217-864-1
• NSC Number: 60586,1859
• UNII: 4G5CEI3415
• DSSTox Substance ID: DTXSID20862809
• Nikkaji Number: J2.137G
• Wikidata: Q27259554
• Mol file: 1988-89-2.mol

Synonyms:4-(1-Phenylethyl)phenol;1988-89-2;Phenol, 4-(1-phenylethyl)-;Styrolfenol;4-(Phenylethylidene)phenol;p-(1-Phenylethyl)phenol;Styrolfenol [Czech];1-(p-HYDROXYPHENYL)1-PHENYLETHANE;NSC 1859;p-(alpha-Methylbenzyl)phenol;4-(alpha-Methylbenzyl)phenol;1-(4-Hydroxyphenyl)-1-phenylethane;1-Phenyl-1-(4-hydroxyphenyl)ethane;4-(1-Fenylethyl)fenol;Phenol, p-(.alpha.-methylbenzyl)-;NSC 60586;4-(.alpha.-Methylbenzyl)phenol;Phenol, p-(alpha-methylbenzyl)-;4-(1-Fenylethyl)fenol [Czech];EINECS 217-864-1;UNII-4G5CEI3415;AI3-08262;p-(.alpha.-Methylbenzyl)phenol;4G5CEI3415;NSC-1859;NSC-60586;PARA-(ALPHA-METHYLBENZYL(5D))PHENOL;p-(a-methylbenzyl)phenol;SCHEMBL51204;DTXSID20862809;NSC1859;BAA98889;NSC60586;1-(p-Hydroxyphenyl)-1-phenylethane;4-(1-PHENYL-ETHYL)-PHENOL;MFCD00020181;AKOS006240725;J2.137G;PARA-(ALPHA-METHYLBENZYL)PHENOL;1-phenyl-1-(4-hydroxy-phenyl)-ethane;AS-78496;LS-104834;CS-0258222;EN300-69438;D92940;Q27259554;Z1079320628

Chemical Property of 4-(1-Phenylethyl)phenol

Chemical Property:

• Vapor Pressure: 0.000193mmHg at 25°C
• Refractive Index: 1.5381 (estimate)
• Boiling Point: 318.5°Cat760mmHg
• Flash Point: 151°C
• PSA: 20.23000
• Density: 1.074g/cm³
• LogP: 3.54400
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 176

Purity/Quality:

99.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-(1-Phenylethyl)phenol

There total 40 articles about 4-(1-Phenylethyl)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: 91.0%

1-(4-methoxyphenyl)-1-phenylethene (4333-75-9) → 1-(4-hydroxyphenyl)-1-phenylethane (120346-43-2,1988-89-2)

Guidance literature:

With hydrogen; cleavage reaction with molten pyridinium hydrochloride, 140 deg C, reflux, 3 h;

Reference yield: 85.0%

C15H16N2O3S (543710-24-3) + oxybis(diphenylborane) (4426-21-5) → 1-(4-hydroxyphenyl)-1-phenylethane (120346-43-2,1988-89-2)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; at 110 ℃; for 2.5h; Inert atmosphere; Reflux;

DOI:10.1021/jo302207b

Reference yield: 75.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + phenol (108-95-2,27073-41-2) → 1-(4-hydroxyphenyl)-1-phenylethane (120346-43-2,1988-89-2)

Guidance literature:

With H-β-zeolite; In cyclohexane; at 80 ℃; for 5h; regioselective reaction;

DOI:10.1002/ejoc.201200283

upstream raw materials:

1-phenyl-1-(2-hydroxyphenyl)ethene

1-phenyl-1,1-bis(4-hydroxyphenyl)ethane

styrene

phenol

Downstream raw materials:

2-(4-(1-phenylethyl)phenoxy)ethanol

Benzoesaeure-<4-(1-phenyl-ethyl)-phenylester>

[4-(1-phenyl-ethyl)-phenyl]-propyl ether

1-butyryloxy-4-(1-phenyl-ethyl)-benzene

Refernces

• 1、 Shmakov, Mikhail M.,Prikhod'ko, Sergey A.,Bardin, Vadim V.,Adonin, Nicolay Yu.. "New approach to the generation of aryldifluoroboranes–prospective acid catalysts of organic reactions". . p. 369 - 371. Retrieved 2018/08/10.
• 2、 Kim, Vicna,Ju Shin, Eun,Ahn, Hogeun,Chung, Minchul,Jung, Sunghun,Kwak, Wonbong. "Efficient catalyst for hydroarylation reaction of styrene with phenol to obtain high DSP selectivity in mild condition". . p. 139 - 146. Retrieved 2018/03/06.