1-(4-Methylphenyl)pent-4-en-1-one

Base Information

• Chemical Name: 1-(4-Methylphenyl)pent-4-en-1-one
• CAS No.: 26954-31-4
• Molecular Formula: C12H14O
• Molecular Weight: 174.243
• DSSTox Substance ID: DTXSID90549852
• Wikidata: Q82429012
• Mol file: 26954-31-4.mol

Synonyms:1-(4-Methylphenyl)pent-4-en-1-one;26954-31-4;4-Penten-1-one, 1-(4-methylphenyl)-;1-(p-tolyl)pent-4-en-1-one;SCHEMBL11006754;DTXSID90549852;AKOS013637683;A933992

Chemical Property of 1-(4-Methylphenyl)pent-4-en-1-one

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Methylphenyl)pent-4-en-1-one

There total 16 articles about 1-(4-Methylphenyl)pent-4-en-1-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: 77.0%

allyl alcohol (107-18-6) + 4-n-methylphenylacetylene (766-97-2) → 1-(4-methylphenyl)-4-penten-1-one (26954-31-4)

Guidance literature:

With [Au(4,5-dichloro-1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)(bis-(trifluoromethanesulfonyl)imidate)]; In neat (no solvent); at 120 ℃; for 17h; Green chemistry;

DOI:10.1021/cs500806m

Reference yield: 67.0%

ethyl 3-(4-methylphenyl)-3-oxo-2-(2-propenyl)propanoate (124750-42-1) → 1-(4-methylphenyl)-4-penten-1-one (26954-31-4)

Guidance literature:

With lithium bromide; In water; N,N-dimethyl-formamide; at 195 - 200 ℃; for 72h;

DOI:10.1021/jo0523262

Reference yield: 63.0%

4-(bromoacetyl)toluene (619-41-0) + allyl-trimethyl-silane (762-72-1) → 1-(4-methylphenyl)-4-penten-1-one (26954-31-4)

Guidance literature:

With fac-tris[2-phenylpyridinato-C²,N]iridium(III); In acetonitrile; at 20 - 30 ℃; for 24h; Inert atmosphere; Irradiation;

DOI:10.1002/bkcs.12219

upstream raw materials:

1-(4-Methylphenyl)-4-penten-1-ol

allyl bromide

para-methylacetophenone

diethyl but-3-en-1-ylphosphonate

Downstream raw materials:

C₁₃H₁₄⁽²⁾H₂

Methyl-[1-p-tolyl-pent-4-en-(Z)-ylidene]-amine

1-(hexa-1,5-dien-2-yl)-4-methylbenzene

1-(benzenesulfonyl)-2-(4-methylphenyl)-1-(phenylsulfanyl)hex-5-en-2-ol