4-Methyl-2-(1-phenylethyl)phenol

Base Information

• Chemical Name: 4-Methyl-2-(1-phenylethyl)phenol
• CAS No.: 1817-67-0
• Molecular Formula: C₁₅H₁₆O
• Molecular Weight: 212.291
• European Community (EC) Number: 688-649-1
• NSC Number: 1770
• UNII: PX04Q6P39N
• Nikkaji Number: J120.247B
• Wikidata: Q27286794
• ChEMBL ID: CHEMBL1795574
• Mol file: 1817-67-0.mol

Synonyms:4-Methyl-2-(1-phenylethyl)phenol;1817-67-0;4-METHYL-2-(1-PHENYL-ETHYL)-PHENOL;2-(alpha-Methylbenzyl)-p-cresol;2-(.alpha.-Methylbenzyl)-p-cresol;PX04Q6P39N;NSC-1770;2-(alpha-Methylbenzyl)-4-methylphenol;NSC1770;NSC 1770;Phenol, 4-methyl-2-(1-phenylethyl)-;UNII-PX04Q6P39N;SCHEMBL222362;CHEMBL1795574;NIOSH/SL8800000;AKOS015967042;Phenol, 2-(alpha-methylbenzyl)-4-methyl-;6-(ALPHA-METHYLBENZYL)-2,4-XYLENOL;SL88000000;Q27286794

Chemical Property of 4-Methyl-2-(1-phenylethyl)phenol

Chemical Property:

• Vapor Pressure: 9.64E-05mmHg at 25°C
• Boiling Point: 328.8°C at 760 mmHg
• Flash Point: 155.3°C
• PSA: 20.23000
• Density: 1.057g/cm³
• LogP: 3.85240
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 212.120115130
• Heavy Atom Count: 16
• Complexity: 208

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-METHYL-2-(1-PHENYL-ETHYL)-PHENOL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)C(C)C2=CC=CC=C2

Technology Process of 4-Methyl-2-(1-phenylethyl)phenol

There total 23 articles about 4-Methyl-2-(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: 99.0%

1-[(2-hydroxy-5-methyl)phenyl]-1-phenylethylene (62594-94-9) → (S)-4-methyl-2-(1-phenylethyl)phenol (1817-67-0,53520-20-0)

Guidance literature:

With Rh(COD)[(R,S)-DuanPhos]BF₄; hydrogen; triethylamine; In toluene; at 20 ℃; for 4h; under 2585.81 Torr; optical yield given as %ee; enantioselective reaction;

DOI:10.1021/ol200422p

Reference yield: 97.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + p-cresol (106-44-5) → 4-methyl-2-(1-phenylethyl)phenol (1817-67-0,53520-20-0)

Guidance literature:

With H-β-zeolite; In cyclohexane; at 80 ℃; for 6h; regioselective reaction;

DOI:10.1002/ejoc.201200283

Reference yield: 94.0%

1-[(2-hydroxy-5-methyl)phenyl]-1-phenylethylene (62594-94-9) → 4-methyl-2-(1-phenylethyl)phenol (1817-67-0,53520-20-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol;

upstream raw materials:

styrene

p-cresol

(1-chloroethyl)benzene

carbon monoxide

Downstream raw materials:

bis[4-methyl-2-{[4-(pent-4-enyloxy)phenylimino]methyl}-6-(1-phenylethyl)phenoxy]titanium(IV) dichloride

(R)-2-hydroxy-5-methyl-3-(1-phenylethyl)benzaldehyde

2-hydroxy-5-methyl-3-(1-phenylethyl)benzaldehyde

Refernces

• 1、 Spliethoff,Hart. "-". . p. 1492. Retrieved 1955.
• 2、 Feng, Zhenhua,An, Lianying,Huang, Zhenggen,Zhao, Xianyin,Wang, Bengao. "Catalytic synthesis of 4-methyl-2-(α-methyl benzyl) phenol over fe-al-mcm-41 for extraction-separation rubidium from brine". . p. 141 - 147. Retrieved 2021/02/05.
• 3、 Sreenivasulu, Chinnabattigalla,Thadathil, Ditto Abraham,Pal, Sumit,Gedu, Satyanarayana. "A simple Lewis acid induced reaction of phenols with electrophiles: Synthesis of functionalized 4H-chromenes and ortho-benzylphenols". . p. 112 - 122. Retrieved 2019/11/19.