3',5'-Dimethyl-2'-hydroxyacetophenone

Base Information

• Chemical Name: 3',5'-Dimethyl-2'-hydroxyacetophenone
• CAS No.: 1198-66-9
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2914501900
• European Community (EC) Number: 672-550-5
• Nikkaji Number: J773.070E
• Mol file: 1198-66-9.mol

Synonyms:3',5'-Dimethyl-2'-hydroxyacetophenone;1198-66-9;1-(2-hydroxy-3,5-dimethylphenyl)ethanone;1-(2-hydroxy-3,5-dimethylphenyl)ethan-1-one;2-acetyl-4,6-dimethylphenol;Ethanone, 1-(2-hydroxy-3,5-dimethylphenyl)-;CEFAZEDONESODIUM;SCHEMBL471443;KBXDUOVVDZNQDY-UHFFFAOYSA-N;BAA19866;MFCD01631133;STK819270;AKOS002220145;FS-1297;NCGC00340801-01;BP-20083;CS-0196558;FT-0633469;H1569;EN300-114471;AB01333401-02;3',5'-Dimethyl-2'-hydroxyacetophenone, AldrichCPR;F1673-6759

Chemical Property of 3',5'-Dimethyl-2'-hydroxyacetophenone

Chemical Property:

• Melting Point: 55°C
• Boiling Point: 261.6 °C at 760 mmHg
• Flash Point: 108.5 °C
• PSA: 37.30000
• Density: 1.08 g/cm³
• LogP: 2.21160
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• 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

3'',5''-Dimethyl-2''-hydroxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3',5'-Dimethyl-2'-hydroxyacetophenone

There total 11 articles about 3',5'-Dimethyl-2'-hydroxyacetophenone 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) + 2,4-Xylenol (105-67-9) → 3,5-dimethyl-2-hydroxyacetophenone (1198-66-9)

Guidance literature:

With boron trifluoride diethyl etherate; for 0.0333333h; microwave irradiation;

DOI:10.1246/bcsj.78.284

Reference yield: 90.0%

2,4-dimethylphenyl acetate (877-53-2) → 3,5-dimethyl-2-hydroxyacetophenone (1198-66-9)

Guidance literature:

With potassium carbonate; In hexane; at 25 ℃; for 12h; Irradiation;

DOI:10.1055/s-1985-31380

Reference yield: 57.5%

acetyl chloride (75-36-5) + 2,4-Xylenol (105-67-9) → 3,5-dimethyl-2-hydroxyacetophenone (1198-66-9)

Guidance literature:

aluminum (III) chloride; In nitrobenzene; at 0 - 48 ℃; for 24h;

upstream raw materials:

2,4-dimethylphenyl acetate

2,4-dimethylanisole

acetyl chloride

acetic acid

Downstream raw materials:

3,5-dimethylcatechol

3,5-dimethylsalicylic acid

3,4,6,8-tetramethyl-coumarin

6,8,10-trimethyl-3,4-dihydro-2H-benzo[b][1,5]oxazocin-3-ol

Refernces

• 1、 Bhimapaka, China Raju,Karri, Shailaja,Kuncha, Madhusudana,Kurma, Siva Hariprasad,Sistla, Ramakrishna. "Synthesis and anti-inflammatory activity of 2-oxo-2H-chromenyl and 2H-chromenyl-5-oxo-2,5-dihydrofuran-3-carboxylates". . . Retrieved 2020/06/22.
• 2、 Ortar, Giorgio,Schiano Moriello, Aniello,Morera, Enrico,Nalli, Marianna,Di Marzo, Vincenzo,De Petrocellis, Luciano. "3-Ylidenephthalides as a new class of transient receptor potential channel TRPA1 and TRPM8 modulators". . p. 5614 - 5618. Retrieved 2013/10/01.