2'-Hydroxy-4',5'-dimethylacetophenone

Base Information

• Chemical Name: 2'-Hydroxy-4',5'-dimethylacetophenone
• CAS No.: 36436-65-4
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 29145090
• European Community (EC) Number: 253-035-0
• UNII: Z7GF7D6YH6
• DSSTox Substance ID: DTXSID70189957
• Nikkaji Number: J332.294G
• Wikidata: Q83062185
• Mol file: 36436-65-4.mol

Synonyms:1-(2-hydroxy-4,5-dimethylphenyl)ethanone

Chemical Property of 2'-Hydroxy-4',5'-dimethylacetophenone

Chemical Property:

• Appearance/Colour: white to light yellow crystalline powder
• Melting Point: 69-73 °C
• Refractive Index: 1.5290 (estimate)
• Boiling Point: 274.3 °C at 760 mmHg
• PKA: 10.59±0.23(Predicted)
• Flash Point: 114.6 °C
• PSA: 37.30000
• Density: 1.08 g/cm³
• LogP: 2.21160
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

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

2''-Hydroxy-4'',5''-dimethylacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)O)C(=O)C
• Uses: 2'-Hydroxy-4',5'-dimethylacetophenone is a hydroxyacetophenone derivative used in the preparation of herbicides as well as chalcone derivatives with antibacterial activity. 2'-Hydroxy-4',5'-dimethylacetophenone is used in the preparation of chalcone derivatives with antibacterial activity.

Technology Process of 2'-Hydroxy-4',5'-dimethylacetophenone

There total 17 articles about 2'-Hydroxy-4',5'-dimethylacetophenone 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%

1-acetyl-2-difluoroboryloxy-4,5-dimethylbenzene (57803-24-4) → 2-acetyl-4,5-dimethylphenol (36436-65-4)

Guidance literature:

With water; In ethanol; for 0.25h; Heating;

Reference yield: 98.0%

3,4-Dimethylphenol (95-65-8) + acetyl chloride (75-36-5) → 2-acetyl-4,5-dimethylphenol (36436-65-4)

Guidance literature:

With aluminium trichloride; at 180 ℃; for 0.5h;

DOI:10.1080/00397919608003863

Reference yield: 69.0%

3,4-dimethylphenyl acetate (22618-23-1) → 3,4-Dimethylphenol (95-65-8) + 2-acetyl-4,5-dimethylphenol (36436-65-4)

Guidance literature:

With BEA zeolite HCZB₃₀; In toluene; at 149.84 ℃; for 6h; Reagent/catalyst; Inert atmosphere;

upstream raw materials:

2,4,5-trimethyl-1-acetoxybenzene

3,4-dimethylphenyl acetate

2'-methoxy-4',5'-dimethylacetophenone

3,4-Dimethylphenol

Downstream raw materials:

2-(2-hydroxy-4,5-dimethyl-phenyl)-2-methyl-3-(4-nitro-phenyl)-thiazolidin-4-one

2-(2-hydroxy-4,5-dimethyl-phenyl)-2-methyl-3-(2-nitro-phenyl)-thiazolidin-4-one

2-(2-hydroxy-4,5-dimethyl-phenyl)-2-methyl-3-phenyl-thiazolidin-4-one

3-(3-chloro-phenyl)-2-(2-hydroxy-4,5-dimethyl-phenyl)-2-methyl-thiazolidin-4-one

Refernces

• 1、 Deshmukh, Ajay,Dwivedi, Poonam,Gagare, Dinkar,Lokhande, Rama,Patil, Raju. "Synthesis and characterization of (E)-2-(1-hydrazonoethyl)-4,5-dimethylphenol from 2-hydroxy-4,5-dimethylacetophenone". . . Retrieved 2020/07/31.
• 2、 Bonrath, Werner,Létinois, Ulla,Lin, Ronghe,Medlock, Jonathan,Mitchell, Sharon,Netscher, Thomas,Pérez-Ramírez, Javier,Stemmler, René T.. "Substrate substitution effects in the Fries rearrangement of aryl esters over zeolite catalysts". . p. 4282 - 4292. Retrieved 2020/07/30.