6-Phenyl-3-hexen-2-one

Base Information

• Chemical Name: 6-Phenyl-3-hexen-2-one
• CAS No.: 33046-41-2
• Molecular Formula: C12H14 O
• Molecular Weight: 174.243
• Hs Code.: 2914399090
• European Community (EC) Number: 251-360-2
• Nikkaji Number: J1.394.742B,J121.741K
• Metabolomics Workbench ID: 44994
• Mol file: 33046-41-2.mol

Synonyms:6-Phenylhex-3-en-2-one;6-phenyl-3-hexen-2-one;33046-41-2;EINECS 251-360-2;3-Hexen-2-one, 6-phenyl-;(E)-6-phenyl-hex-3-en-2-one;56161-62-7;(E)-6-phenylhex-3-en-2-one;SCHEMBL3894818;SCHEMBL3894824;(e)-6-phenyl-3-hexen-2-one;(E)-6-Phenyl-3-hexene-2-one;CHEBI:169674;PHEPHOADHFLZJS-FNORWQNLSA-N;(3E)-6-Phenyl-3-hexen-2-one;(3E)-6-Phenyl-3-hexen-2-one #;AKOS006326857;(3E)-6-PHENYLHEX-3-EN-2-ONE;EN300-1862859

Chemical Property of 6-Phenyl-3-hexen-2-one

Chemical Property:

• Vapor Pressure: 0.00174mmHg at 25°C
• Boiling Point: 293.3°Cat760mmHg
• Flash Point: 107.1°C
• PSA: 17.07000
• Density: 0.973g/cm³
• LogP: 2.76440
• XLogP3: 2.6
• 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:

99% ^*data from raw suppliers

6-PHENYLHEX-3-EN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=CCCC1=CC=CC=C1
• Isomeric SMILES: CC(=O)/C=C/CCC1=CC=CC=C1

Technology Process of 6-Phenyl-3-hexen-2-one

There total 51 articles about 6-Phenyl-3-hexen-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: 99.0%

3-phenyl-propionaldehyde (104-53-0) + Diethyl (2-oxopropyl)phosphonate (1067-71-6) → (E)-6-phenyl-3-hexen-2-one (33046-41-2,56161-62-7)

Guidance literature:

Diethyl (2-oxopropyl)phosphonate; With 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium chloride; In acetonitrile; at 23 ℃; for 0.25h; Inert atmosphere;

3-phenyl-propionaldehyde; In acetonitrile; at 0 - 23 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/jacs.9b09373

Reference yield: 98.0%

3-phenyl-propionaldehyde (104-53-0) + chloroacetone (78-95-5) → (E)-6-phenyl-3-hexen-2-one (33046-41-2,56161-62-7)

Guidance literature:

With triethylamine; In dichloromethane; at 50 ℃; for 60h; optical yield given as %de;

DOI:10.1055/s-0030-1258130

Reference yield: 92.0%

3-phenyl-propionaldehyde (104-53-0) + 1-triphenylphosphoranylidene-2-propanone (1439-36-7) → (E)-6-phenyl-3-hexen-2-one (33046-41-2,56161-62-7)

Guidance literature:

In tetrahydrofuran; at 60 ℃; for 6h;

DOI:10.1021/jo049025x

upstream raw materials:

3-phenyl-propionaldehyde

ethyl acetoacetate

acetonyltriphenylphosphonium chloride

Isopropenyl acetate

Downstream raw materials:

4-Ethoxy-2-oxo-6-phenethyl-cyclohex-3-enecarboxylic acid ethyl ester

3-methylene-4-(methylthio)-2-(2-phenylethyl)-4-(trimethylsilyl)cyclobutyl methyl ketone

ethyl 3-hydroxy-3-methyl-7-phenyl-trans-4-heptenoate

3,4-epoxy-6-phenyl-2-hexanone