2'-Hydroxy-4'-methylacetophenone

Base Information

• Chemical Name: 2'-Hydroxy-4'-methylacetophenone
• CAS No.: 6921-64-8
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 2914501900
• European Community (EC) Number: 230-040-6
• UNII: Q168P7RG3B
• DSSTox Substance ID: DTXSID4064503
• Nikkaji Number: J265.960C
• Wikidata: Q27286878
• ChEMBL ID: CHEMBL1240948
• Mol file: 6921-64-8.mol

Synonyms:2-hydroxy-4-methylacetophenone

Chemical Property of 2'-Hydroxy-4'-methylacetophenone

Chemical Property:

• Appearance/Colour: black liquid
• Vapor Pressure: 0.0177mmHg at 25°C
• Melting Point: 21°C
• Refractive Index: n20/D 1.565(lit.)
• Boiling Point: 246 °C at 760 mmHg
• PKA: 10.27±0.10(Predicted)
• Flash Point: 110 ºC
• PSA: 37.30000
• Density: 1.106 g/cm³
• LogP: 1.90320
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

2′-Hydroxy-4′-methylacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2'-Hydroxy-4'-methylacetophenone

There total 45 articles about 2'-Hydroxy-4'-methylacetophenone 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: 98.0%

acetic acid (64-19-7,77671-22-8) + 3-methyl-phenol (108-39-4) → 4'-hydroxy-2'-methylacetophenone (6921-64-8)

Guidance literature:

With boron trifluoride diethyl etherate; for 0.05h; microwave irradiation;

DOI:10.1246/bcsj.78.284

Reference yield: 96.0%

1-(5-bromo-2-hydroxy-4-methylphenyl)ethan-1-one (50342-17-1) → 4'-hydroxy-2'-methylacetophenone (6921-64-8)

Guidance literature:

With palladium on activated charcoal; hydrogen; sodium hydroxide; In methanol; at 50 ℃; for 3h;

DOI:10.1080/14786419.2018.1509338

Reference yield: 95.0%

3-acetoxytoluene (122-46-3) → 4'-hydroxy-2'-methylacetophenone (6921-64-8)

Guidance literature:

With zirconium(IV) chloride; In dichloromethane; at 20 ℃; for 8h;

DOI:10.1016/0040-4039(96)01706-6

upstream raw materials:

3-acetoxytoluene

4'-hydroxy-2'methylacetophenone

(E)-3-Ureido-but-2-enoic acid ethyl ester

1-(4-acetoxy-2-methyl-phenyl)-ethanone

Downstream raw materials:

2'-hydroxy-4'-methyl-3,4-methylenedioxy-trans-chalcone

4,7-dimethyl-coumarin

2-hydroxy-p-toluic acid

2,7-dimethyl-4H-chromen-4-one

Refernces

• 1、 Athare, Anil E.,Dare, Sushama B.,Kale, Nitin V.,Karale, Bhausaheb K.,Mhaske, Sadhana D.,Salve, Supriya P.,Takate, Sushama J.. "Bioactivity study of thiophene and pyrazole containing heterocycles". . p. 891 - 899. Retrieved 2021/09/08.
• 2、 Schreiner, Linda,Bauer, Johannes,Ortner, Eva,Buettner, Andrea. "Structure-Odor Activity Studies on Derivatives of Aromatic and Oxygenated Monoterpenoids Synthesized by Modifying p-Cymene". supporting information. p. 834 - 842. Retrieved 2020/03/30.