2',4',6'-Trimethylacetophenone

Base Information

• Chemical Name: 2',4',6'-Trimethylacetophenone
• CAS No.: 1667-01-2
• Deprecated CAS: 51885-97-3
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• Hs Code.: 29143990
• European Community (EC) Number: 216-783-9
• NSC Number: 65636
• UNII: J9E8ZRC2WE
• DSSTox Substance ID: DTXSID1061865
• Nikkaji Number: J44.116C
• Wikidata: Q63396022
• Mol file: 1667-01-2.mol

Synonyms:1667-01-2;2',4',6'-TRIMETHYLACETOPHENONE;1-Mesitylethanone;Acetylmesitylene;Acetomesitylene;1-(2,4,6-trimethylphenyl)ethanone;Mesityl methyl ketone;Ethanone, 1-(2,4,6-trimethylphenyl)-;2,4,6-trimethylacetophenone;Methyl 2,4,6-trimethylphenyl ketone;Acetophenone, 2',4',6'-trimethyl-;1-mesitylethan-1-one;1,3,5-Trimethyl-2-acetylbenzene;1-acetyl-2,4,6-trimethylbenzene;NSC 65636;J9E8ZRC2WE;AI3-11164;51885-97-3;EINECS 216-783-9;NSC-65636;1-(2,4,6-trimethyl-phenyl)-ethanone;1-(2,4,6-Trimethylphenyl)-1-ethanone;1-(2,4,6-trimethylphenyl)ethan-1-one;2-Acetylmesitylene;1-Mesitylethanone #;Methyl mesityl ketone;UNII-J9E8ZRC2WE;NCIOpen2_000113;2',6'-Trimethylacetophenone;SCHEMBL698413;2,4,6-Trimethyl-acetophenone;1,5-Trimethyl-2-acetylbenzene;Acetophenone,4',6'-trimethyl-;DTXSID1061865;Ethanone,4,6-trimethylphenyl)-;Methyl 2,6-trimethylphenyl ketone;2',4', 6'-trimethylacetophenone;2',4',6'-trimethyl acetophenone;NSC65636;2', 4', 6'-trimethylacetophenone;MFCD00008735;STL281391;1-(2,4,6-Trimethylphenyl)-ethanone;AKOS000120526;4-METHOXY-3-NITROBENZOYLCHLORIDE;Ethanone,1-(2,4,6-trimethylphenyl)-;s10572;AS-10615;BP-12622;2',4',6'-Trimethylacetophenone, 97+%;AM20030116;CS-0074269;FT-0609895;FT-0693011;EN300-20900;A810757;2',4',6'-Trimethylacetophenone, >=98.0% (GC);W-109691;Q63396022;F2146-0688

Chemical Property of 2',4',6'-Trimethylacetophenone

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Refractive Index: n20/D 1.517(lit.)
• Boiling Point: 250.155 °C at 760 mmHg
• Flash Point: 98.968 °C
• PSA: 17.07000
• Density: 0.955 g/cm³
• LogP: 2.81440
• Storage Temp.: Store below +30°C.
• Solubility.: Difficult to mix.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

2',4',6'-Trimethylacetophenone >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(=O)C)C
• Uses: 2',4',6'-Trimethylacetophenone is used as laboratory chemicals, manufacture of substances and intermediated for chemical synthesis.

Technology Process of 2',4',6'-Trimethylacetophenone

There total 79 articles about 2',4',6'-Trimethylacetophenone 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%

acetyl chloride (75-36-5) + 1,3,5-trimethyl-benzene (108-67-8) → 2,4,6-Trimethylacetophenone (1667-01-2,51885-97-3)

Guidance literature:

With hierarchical nanocrystalline zeolite ZSM-5; at 50 ℃; for 2h; Temperature;

DOI:10.1166/jnn.2020.16979

Reference yield: 99.0%

acetic anhydride (108-24-7) + 1,3,5-trimethyl-benzene (108-67-8) → 2,4,6-Trimethylacetophenone (1667-01-2,51885-97-3)

Guidance literature:

With indium(III) triflate; lithium perchlorate; In nitromethane; at 20 ℃;

DOI:10.1016/S0040-4039(00)02122-5

Reference yield: 96.0%

2-ethynyl-1,3,5-trimethylbenzene (769-26-6) → 2,4,6-Trimethylacetophenone (1667-01-2,51885-97-3)

Guidance literature:

With trifluorormethanesulfonic acid; silver trifluoromethanesulfonate; C₇₅H₅₂AuClN₂O₂; In methanol; dichloromethane; water; at 20 ℃; for 20h;

DOI:10.1002/adsc.201800605

upstream raw materials:

methyl magnesium iodide

dibutyl ether

2,4,6-trimethyl-benzoic acid p-tolyl ester

diethyl ether

Downstream raw materials:

4-[(2,4,6-trimethyl-phenyl)-oxo-thioacetyl]-morpholine

1-(2,4,6-trimethyl-phenacyl)-pyridinium; iodide

1,5-dimesityl-2-methyl-4-methylene-pent-2-ene-1,5-dione

1-mesityl-2-methoxymethyl-propenone