4-Penten-1-one, 1-phenyl-2-(phenylsulfonyl)-

Base Information

• Chemical Name: 4-Penten-1-one, 1-phenyl-2-(phenylsulfonyl)-
• CAS No.: 104869-91-2
• Molecular Formula: C17H16O3S
• Molecular Weight: 300.378
• DSSTox Substance ID: DTXSID40442884
• Nikkaji Number: J1.365.834J
• Mol file: 104869-91-2.mol

Synonyms:4-Penten-1-one, 1-phenyl-2-(phenylsulfonyl)-;104869-91-2;DTXSID40442884;1-phenyl-2-(phenylsulfonyl)pent-4-en-1-one;1-Phenyl-2-(phenylsulfonyl)-4-pentene-1-one

Chemical Property of 4-Penten-1-one, 1-phenyl-2-(phenylsulfonyl)-

Chemical Property:

• Melting Point: 81-83 °C
• Boiling Point: 501.6±50.0 °C(Predicted)
• PSA: 59.59000
• Density: 1.191±0.06 g/cm3(Predicted)
• LogP: 4.36870
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 300.08201554
• Heavy Atom Count: 21
• Complexity: 449

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(C(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Technology Process of 4-Penten-1-one, 1-phenyl-2-(phenylsulfonyl)-

There total 5 articles about 4-Penten-1-one, 1-phenyl-2-(phenylsulfonyl)- 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%

2-(phenylsulfonyl)acetophenone (3406-03-9) + allyl alcohol (107-18-6) → 2-benzenesulfonyl-1-phenyl-pent-4-en-1-one (104869-91-2)

Guidance literature:

With 4-(9-borabicyclo[3.3.1]nonanyl)butyldiphenylphosphine; palladium diacetate; In 1,4-dioxane; for 5h; Concentration; Inert atmosphere; Reflux;

DOI:10.1002/adsc.201800187

Reference yield: 73.0%

2-(phenylsulfonyl)acetophenone (3406-03-9) + allyl bromide (106-95-6) → 2-benzenesulfonyl-1-phenyl-pent-4-en-1-one (104869-91-2)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene; Ambient temperature;

DOI:10.1246/bcsj.61.495

Reference yield: 63.0%

2-(phenylsulfonyl)acetophenone (3406-03-9) + allyl alcohol (107-18-6) → 2-benzenesulfonyl-1-phenyl-pent-4-en-1-one (104869-91-2) + 2,2-diallyl-2-(phenylsulfonyl)acetophenone

Guidance literature:

With acetic acid; tetrakis(triphenylphosphine) palladium⁽⁰⁾; at 80 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2004.02.094

upstream raw materials:

2-(phenylsulfonyl)acetophenone

allyl bromide

allyl alcohol

Allyl acetate

Downstream raw materials:

1-Phenylpent-4-en-1-one

diphenyldisulfane

4,5-dihydro-5-methylene-2-phenyl-3-(phenylsulfonyl)furan

5-methyl-2-phenyl-3-(phenylsulfonyl)furan