1-(2-Hydroxy-4-methylphenyl)propan-1-one

Base Information

• Chemical Name: 1-(2-Hydroxy-4-methylphenyl)propan-1-one
• CAS No.: 2886-52-4
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• European Community (EC) Number: 853-777-0
• Mol file: 2886-52-4.mol

Synonyms:1-(2-hydroxy-4-methylphenyl)propan-1-one;2886-52-4;5-Methyl-2-propionylphenol;SCHEMBL9639259;CAA88652;AKOS000112443;CS-0238000;EN300-188869;Z1513595149

Chemical Property of 1-(2-Hydroxy-4-methylphenyl)propan-1-one

Chemical Property:

• Melting Point: 44°C
• Refractive Index: 1.5490 (estimate)
• Boiling Point: 251.67°C (rough estimate)
• PSA: 37.30000
• Density: 1.0326 (rough estimate)
• LogP: 2.29330
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

95%+ ^*data from raw suppliers

1-(2-hydroxy-4-methylphenyl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=C(C=C(C=C1)C)O

Technology Process of 1-(2-Hydroxy-4-methylphenyl)propan-1-one

There total 32 articles about 1-(2-Hydroxy-4-methylphenyl)propan-1-one 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: 74.0%

5-methyl-2-allylphenol (41389-12-2) → 1-(2-hydroxy-4-methyl-phenyl)-propan-1-one (2886-52-4)

Guidance literature:

With Perbenzoic acid; In diethyl ether; at 0 - 25 ℃; for 24h;

Reference yield: 70.0%

1-(2-methoxy-6-methylphenyl)-1-propanone (137937-37-2) → 1-(2-hydroxy-4-methyl-phenyl)-propan-1-one (2886-52-4) + 1-(2-hydroxy-6-methylphenyl)-1-propanone (51451-26-4) + 2-propionyl-p-cresol (938-45-4)

Guidance literature:

aluminium trichloride; In neat (no solvent); at 150 ℃; for 1h; Mechanism; Product distribution;

Reference yield: 65.0%

1-(2-hydroxy-6-methylphenyl)-1-propanone (51451-26-4) → 1-(2-hydroxy-4-methyl-phenyl)-propan-1-one (2886-52-4) + 2-propionyl-p-cresol (938-45-4)

Guidance literature:

aluminium trichloride; at 180 ℃; Mechanism; Product distribution; various catalysts;

upstream raw materials:

3,7-dimethyl-chromen-4-one

sodium ethanolate

3-methyl phenylpropionate

propionic acid

Downstream raw materials:

2-propyl-5-methylphenol

2-hydroxy-4-methylpropiophenone oxime

Refernces

• 1、 Shan, Gang,Han, Xuesong,Lin, Yun,Yu, Shanyou,Rao, Yu. "Broadening the catalyst and reaction scope of regio- and chemoselective C-H oxygenation: A convenient and scalable approach to 2-acylphenols by intriguing Rh(ii) and Ru(ii) catalysis". supporting information. p. 2318 - 2322. Retrieved 2013/04/10.
• 2、 Martin, Robert,Lafrance, Jean Ronald,Demerseman, Pierre. "A REEXAMINATION OF THE RETRO-FRIES REARRANGEMENT OF SOME o-HYDROXYKETONES". . p. 539 - 548. Retrieved 2007/10/02.