4-(2,6-Dimethylphenyl)butan-2-one

Base Information

• Chemical Name: 4-(2,6-Dimethylphenyl)butan-2-one
• CAS No.: 832712-90-0
• Molecular Formula: C12H16O
• Molecular Weight: 176.258
• DSSTox Substance ID: DTXSID40479478
• Wikidata: Q82313550

Synonyms:832712-90-0;4-(2,6-dimethylphenyl)butan-2-one;2-Butanone, 4-(2,6-dimethylphenyl)-;DTXSID40479478;AKOS020765598;EN300-1829415

Chemical Property of 4-(2,6-Dimethylphenyl)butan-2-one

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(2,6-Dimethylphenyl)butan-2-one

There total 5 articles about 4-(2,6-Dimethylphenyl)butan-2-one 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%

4t-(2,6-dimethyl-phenyl)-but-3-en-2-one (86347-16-2) → 4-(2,6-dimethylphenyl)butan-2-one (832712-90-0)

Guidance literature:

4t-(2,6-dimethyl-phenyl)-but-3-en-2-one; With hydrogen; palladium; In ethanol;

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

DOI:10.1016/j.tetlet.2004.11.043

Reference yield: 77.0%

2-hydroxy-3-butene (598-32-3) + 2-Bromo-m-xylene (576-22-7) → 4-(2,6-dimethylphenyl)butan-2-one (832712-90-0)

Guidance literature:

With trineopentyl phosphine; N-ethyl-N,N-diisopropylamine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 160 ℃; for 17h; Glovebox;

DOI:10.1021/jo501840u

Reference yield:

4t-(2,6-dimethyl-phenyl)-but-3-en-2-one (86347-16-2) → 4-(2,6-dimethyl-phenyl)-butan-2-ol + 4-(2,6-dimethylphenyl)butan-2-one (832712-90-0)

Guidance literature:

With hydrogen; palladium; In ethanol; Title compound not separated from byproducts;

DOI:10.1016/j.tetlet.2004.11.043

upstream raw materials:

4t-(2,6-dimethyl-phenyl)-but-3-en-2-one

C₁₂H₁₄O

2,6-dimethylbenzaldehyde

2-hydroxy-3-butene

Downstream raw materials:

(E)-5-(2,6-Dimethyl-phenyl)-3-methyl-pent-2-enoic acid methyl ester

C₁₃H₁₅F₃O₃S

C₂₆H₃₄O₆

UTKO₅

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