2-Butanone, 4-(2,4,6-trimethylphenyl)-

Base Information

• Chemical Name: 2-Butanone, 4-(2,4,6-trimethylphenyl)-
• CAS No.: 195259-08-6
• Molecular Formula: C13H18O
• Molecular Weight: 190.285
• DSSTox Substance ID: DTXSID10479480
• Nikkaji Number: J972.139H
• Wikidata: Q82313552
• Mol file: 195259-08-6.mol

Synonyms:2-Butanone, 4-(2,4,6-trimethylphenyl)-;195259-08-6;4-(2,4,6-trimethylphenyl)butan-2-one;4-Mesitylbutan-2-one;SCHEMBL11099663;DTXSID10479480;AKOS011840731;CS-0275911;EN300-1867385

Chemical Property of 2-Butanone, 4-(2,4,6-trimethylphenyl)-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Butanone, 4-(2,4,6-trimethylphenyl)-

There total 7 articles about 2-Butanone, 4-(2,4,6-trimethylphenyl)- 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: 69.0%

2,4,6-trimethylphenyl bromide (576-83-0) + methyl vinyl ketone (78-94-4,25038-87-3) → 4-mesitylbutan-2-one (195259-08-6)

Guidance literature:

2,4,6-trimethylphenyl bromide; methyl vinyl ketone; With triethylamine; triphenylphosphine; palladium diacetate; In N,N-dimethyl-formamide;

With hydrogen; palladium; In ethanol;

With N-methyl-2-indolinone; tetrapropylammonium perruthennate; In dichloromethane;

DOI:10.1016/j.tetlet.2004.11.043

Reference yield: 67.0%

2,4,6-trimethylphenyl trifluoromethanesulfonate (125261-32-7) + methyl vinyl ketone (78-94-4,25038-87-3) → 4-mesitylbutan-2-one (195259-08-6)

Guidance literature:

With 1,3-bis-(diphenylphosphino)propane; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 150 ℃; for 6h; sealed tube;

DOI:10.1016/S0040-4039(98)00657-1

Reference yield: 39.0%

(η1-mesityl)2Fe(κ2-TMEDA) (852142-68-8) + methyl vinyl ketone (78-94-4,25038-87-3) → 4-mesitylbutan-2-one (195259-08-6)

Guidance literature:

In toluene; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c2cc37144h

upstream raw materials:

2,4,6-trimethylphenyl trifluoromethanesulfonate

methyl vinyl ketone

2,4,6-trimethylphenyl bromide

C₁₆H₂₂O₃

Downstream raw materials:

4-(3-(3-(4-bromophenyl)propa-1,2-dienyl)-2,4,6-trimethylphenyl)butan-2-one

C₂₂H₂₃BrO

(E)-3-Methyl-5-(2,4,6-trimethyl-phenyl)-pent-2-en-1-ol

(E)-3-Methyl-5-(2,4,6-trimethyl-phenyl)-pent-2-enal

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