4-Penten-2-one, 4-methyl-1-phenyl-

Base Information

• Chemical Name: 4-Penten-2-one, 4-methyl-1-phenyl-
• CAS No.: 61799-53-9
• Molecular Formula: C12H14O
• Molecular Weight: 174.243
• DSSTox Substance ID: DTXSID60540114
• Nikkaji Number: J469.945I
• Wikidata: Q82415999

Synonyms:4-Methyl-1-phenylpent-4-en-2-one;61799-53-9;SCHEMBL4638137;DTXSID60540114;AKOS017729650

Chemical Property of 4-Penten-2-one, 4-methyl-1-phenyl-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Penten-2-one, 4-methyl-1-phenyl-

There total 12 articles about 4-Penten-2-one, 4-methyl-1-phenyl- 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: 66.0%

2-benzyl-1,3-benzoxazole (2008-07-3) + 2-methylallylmagnesium chloride (5674-01-1) → 4-methyl-1-phenyl-4-penten-2-one (61799-53-9) + 4-methyl-1-phenyl-3-penten-2-one (61799-54-0) + 2-amino-phenol (95-55-6)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; diethyl ether; at -15 ℃;

DOI:10.1016/S0040-4020(01)91258-X

Reference yield: 42.0%

2-Ethoxy-4-methyl-1-phenyl-pent-4-en-1-ol → 4-methyl-1-phenyl-4-penten-2-one (61799-53-9) + 4-methyl-1-phenyl-3-penten-2-one (61799-54-0) + ((Z)-2-Ethoxy-4-methyl-penta-1,4-dienyl)-benzene (98746-90-8)

Guidance literature:

With hydrogenchloride; for 15h; Ambient temperature;

DOI:10.1016/0022-328X(85)87364-2

Reference yield:

4-methyl-1-phenyl-4-penten-2-ol → 4-methyl-1-phenyl-4-penten-2-one (61799-53-9)

Guidance literature:

With Jones reagent; In diethyl ether; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201912408

upstream raw materials:

2-benzyl-1,3-benzoxazole

2-methylallylmagnesium chloride

phenylacetyl chloride

3-Chloro-2-methylpropene

Downstream raw materials:

C₁₂H₁₆O₃

C₁₃H₁₈O₃

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