1-(2,3,5,6-Tetramethylphenyl)ethanone

Base Information

• Chemical Name: 1-(2,3,5,6-Tetramethylphenyl)ethanone
• CAS No.: 2142-79-2
• Molecular Formula: C12H16 O
• Molecular Weight: 176.258
• Hs Code.: 2914399090
• European Community (EC) Number: 651-787-8
• NSC Number: 74871
• DSSTox Substance ID: DTXSID40291314
• Nikkaji Number: J372.386K
• Wikidata: Q82029235
• Mol file: 2142-79-2.mol

Synonyms:1-(2,3,5,6-tetramethylphenyl)ethanone;2142-79-2;2,3,5,6-Tetramethylacetophenone;2',3',5',6'-Tetramethylacetophenone;Methyl duryl ketone;1-(2,3,5,6-tetramethylphenyl)ethan-1-one;Ethanone, 1-(2,3,5,6-tetramethylphenyl)-;Acetophenone, 2',3',5',6'-tetramethyl-;1-(2,3,5,6-TETRAMETHYL-PHENYL)-ETHANONE;Duryl-methyl-keton;NSC74871;NCIOpen2_000855;2,5,6-Tetramethylacetophenone;SCHEMBL3735175;DTXSID40291314;JCNRSGPJXDRATR-UHFFFAOYSA-N;2',5',6'-Tetramethylacetophenone;1,4,5-Tetramethyl-3-acetylbenzene;Ethanone,3,5,6-tetramethylphenyl)-;MFCD00014987;NSC-74871;STK897906;Acetophenone,3',5',6'-tetramethyl-;AKOS000160752;1,2,4,5-Tetramethyl-3-acetylbenzene;NCGC00340505-01;LS-04292;CS-0438416;FT-0609438;AB01333555-02;A815344;InChI=1/C12H16O/c1-7-6-8(2)10(4)12(9(7)3)11(5)13/h6H,1-5H

Chemical Property of 1-(2,3,5,6-Tetramethylphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.00358mmHg at 25°C
• Melting Point: 74-75°C
• Boiling Point: 281.4°Cat760mmHg
• Flash Point: 115.5°C
• PSA: 17.07000
• Density: 0.947g/cm³
• LogP: 3.12280
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

1-(2,3,5,6-TETRAMETHYL-PHENYL)-ETHANONE Aldrich ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)C(=O)C)C)C

Technology Process of 1-(2,3,5,6-Tetramethylphenyl)ethanone

There total 14 articles about 1-(2,3,5,6-Tetramethylphenyl)ethanone 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%

1,2,4,5-tetramethylbenzene (95-93-2) + acetyl chloride (75-36-5) → 2,3,5,6-tetramethylacetophenone (2142-79-2)

Guidance literature:

aluminium trichloride; In chloroform; at 25 ℃; for 1h;

DOI:10.1016/0040-4020(80)80098-6

Reference yield: 95.3%

1,2,3,4-Tetramethylbenzene (488-23-3) + acetyl chloride (75-36-5) → 2,3,5,6-tetramethylacetophenone (2142-79-2) + 2',3',4',5'-tetramethylacetophenone (34764-71-1)

Guidance literature:

With aluminium trichloride; In chloroform; at 25 ℃; for 1h;

DOI:10.1016/0040-4020(80)80098-6

Reference yield: 94.6%

1,2,4,5-tetramethylbenzene (95-93-2) + acetyl chloride (75-36-5) → 1,2,3,4-Tetramethylbenzene (488-23-3) + 1,2,3,5-Tetramethylbenzene (527-53-7) + 2,3,5,6-tetramethylacetophenone (2142-79-2)

Guidance literature:

With aluminium trichloride; In tetrachloromethane; 1.) 5 deg C, 1 h; 2.) 25 deg C, 1 h;

DOI:10.1016/0040-4020(80)80098-6

upstream raw materials:

1,2,4,5-tetramethylbenzene

acetic anhydride

acetyl chloride

1,1′-(2,3,5,6-tetramethyl-1,4-phenylene)bis(ethan-1-one)

Downstream raw materials:

1-[4-(2,3,5,6-tetramethyl-benzoyl)-phenyl]-3-(2,3,5,6-tetramethyl-phenyl)-propane-1,3-dione

3-hydroxy-1,5-bis-(2,3,5,6-tetramethyl-phenyl)-pentane-1,5-dione

3,4,5-trimethylacetophenone

2',3',4',5'-tetramethylacetophenone

Refernces

• 1、 Cvijeti?, Ilija N.,Verbi?, Tatjana ?.,Ernesto de Resende, Pedro,Stapleton, Paul,Gibbons, Simon,Jurani?, Ivan O.,Drakuli?, Branko J.,Zloh, Mire. "Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains". . p. 1474 - 1488. Retrieved 2017/11/17.
• 2、 Moorthy, Jarugu Narasimha,Senapati, Kalyan,Parida, Keshaba Nanda,Jhulki, Samik,Sooraj, Kunnikuruvan,Nair, Nisanth N.. "Twist does a twist to the reactivity: Stoichiometric and catalytic oxidations with twisted tetramethyl-IBX". experimental part. p. 9593 - 9601. Retrieved 2012/01/03.