3-Phenyl-hex-5-en-2-one

Base Information

• Chemical Name: 3-Phenyl-hex-5-en-2-one
• CAS No.: 26965-15-1
• Molecular Formula: C12H14O
• Molecular Weight: 174.243
• European Community (EC) Number: 654-334-2
• Nikkaji Number: J504.356E
• Mol file: 26965-15-1.mol

Synonyms:3-phenyl-5-hexen-2-one;3-phenyl-hex-5-en-2-one;SCHEMBL8252373;AKOS022505207

Chemical Property of 3-Phenyl-hex-5-en-2-one

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Phenyl-hex-5-en-2-one

There total 27 articles about 3-Phenyl-hex-5-en-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: 97.0%

N-methoxy-N-methyl-2-phenylpent-4-enamide (1430406-09-9) + methylmagnesium bromide (75-16-1) → 3-phenylhex-5-en-2-one (26965-15-1)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201700466

Reference yield: 90.0%

allyl bromide (106-95-6) + 1-phenyl-acetone (103-79-7,136675-26-8) → 3-phenylhex-5-en-2-one (26965-15-1)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; for 1h; Ambient temperature;

Reference yield: 81.0%

5-Hexen-2-one (109-49-9) + phenylmagnesium chloride (100-59-4) → 3-phenylhex-5-en-2-one (26965-15-1)

Guidance literature:

phenylmagnesium chloride; With aluminum (III) chloride; In tetrahydrofuran;

5-Hexen-2-one; With isoxazolidine; In tetrahydrofuran; dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.tetlet.2012.05.146

upstream raw materials:

allyl bromide

1-phenyl-acetone

1,3-dibromo-propane

allyl iodid

Downstream raw materials:

4-oxo-3-phenylpentanal

3-Phenyl-3-(prop-2-ynyl)hex-5-en-2-one

3-phenylhex-5-en-2-on p-tosylhydrazone

C₁₉H₁₈N₄O₆