2-Allyl-4-methylphenol

Base Information

• Chemical Name: 2-Allyl-4-methylphenol
• CAS No.: 6628-06-4
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• European Community (EC) Number: 229-606-5
• NSC Number: 60285
• UNII: V9ZKZ3DMF3
• DSSTox Substance ID: DTXSID10216478
• Nikkaji Number: J150.805I
• Wikidata: Q83092708
• Mol file: 6628-06-4.mol

Synonyms:2-Allyl-4-methylphenol;2-Allyl-p-cresol;6628-06-4;Phenol, 4-methyl-2-(2-propenyl)-;2-allyl-4-methyl-phenol;V9ZKZ3DMF3;NSC-60285;4-methyl-2-(prop-2-en-1-yl)phenol;AI3-10052;4-methyl-2-prop-2-enylphenol;NSC60285;EINECS 229-606-5;Phenol, 4-methyl-2-(2-propen-1-yl)-;UNII-V9ZKZ3DMF3;SCHEMBL3821503;DTXSID10216478;NSC 60285;AKOS005352331;AI310052;AS-56821;AI3 10052;D96076

Chemical Property of 2-Allyl-4-methylphenol

Chemical Property:

• Vapor Pressure: 0.0358mmHg at 25°C
• Melting Point: 78.7 °C
• Refractive Index: 1.5385 (estimate)
• Boiling Point: 233.8°Cat760mmHg
• PKA: 10.59±0.18(Predicted)
• Flash Point: 101.7°C
• PSA: 20.23000
• Density: 0.997g/cm³
• LogP: 2.42910
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99% ^*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: CC1=CC(=C(C=C1)O)CC=C

Technology Process of 2-Allyl-4-methylphenol

There total 36 articles about 2-Allyl-4-methylphenol 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: 100.0%

allyl p-tolyl ether (23431-48-3) → 2-allyl-4-methylphenol (6628-06-4)

Guidance literature:

In N,N-dimethyl-formamide; at 210 ℃;

DOI:10.1021/acs.joc.5b01326

Reference yield: 70.0%

4-methoxy-4-methylcyclohexa-2,5-dien-1-one (23438-17-7) + allyl bromide (106-95-6) → 2-allyl-4-methylphenol (6628-06-4)

Guidance literature:

allyl bromide; With indium; sodium iodide; In N,N-dimethyl-formamide; at 20 ℃;

4-methoxy-4-methylcyclohexa-2,5-dien-1-one; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.tetlet.2005.01.152

Reference yield: 61.0%

p-cresol (106-44-5) + allyl tosylate (4873-09-0) → 2-allyl-4-methylphenol (6628-06-4)

Guidance literature:

{(norbornadiene)rhodium(I)(NCCH₃)2}(PF₆); In toluene; at 0 ℃; for 24h;

DOI:10.1055/s-2003-40859

upstream raw materials:

sulfolane

allyl p-tolyl ether

diphenylether

octane

Downstream raw materials:

4-methyl-2-(morpholinomethyl)-6-allylphenol

acetic acid-(2-allyl-4-methyl-phenyl ester)

3-allyl-4-allyloxytoluene

(2-allyl-4-methyl-phenoxy)-acetic acid

Refernces

• 1、 Hui, Zi,Jiang, Songwei,Qi, Xiang,Ye, Xiang-Yang,Xie, Tian. "Investigating the microwave-accelerated Claisen rearrangement of allyl aryl ethers: Scope of the catalysts, solvents, temperatures, and substrates". supporting information. . Retrieved 2020/05/18.
• 2、 Corrêa, Michelle F,Reiner, David,Fernandes, Gustavo A B,Varela, Marina T,Aranha, Cecília M S Q,Stark, Holger,Fernandes, Jo?o Paulo S. "Profiling of LINS01 compounds at human dopamine D2 and D3 receptors". . . Retrieved 2019/12/26.