4-Penten-2-one, 3-methyl-1-phenyl-

Base Information

• Chemical Name: 4-Penten-2-one, 3-methyl-1-phenyl-
• CAS No.: 135987-22-3
• Molecular Formula: C12H14O
• Molecular Weight: 174.243
• DSSTox Substance ID: DTXSID90472095
• Nikkaji Number: J580.842A
• Mol file: 135987-22-3.mol

Synonyms:4-Penten-2-one, 3-methyl-1-phenyl-;135987-22-3;DTXSID90472095

Chemical Property of 4-Penten-2-one, 3-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: 178

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Penten-2-one, 3-methyl-1-phenyl-

There total 6 articles about 4-Penten-2-one, 3-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: 83.0%

crotyltetrabutylstiborane (137626-43-8) + phenylacetyl chloride (103-80-0) → 3-methyl-1-phenyl-4-penten-2-one (135987-22-3)

Guidance literature:

In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1021/jo00028a075

Reference yield: 77.0%

(E)-1-Bromo-2-butene (4784-77-4,39616-19-8,29576-14-5) + phenylacetonitrile (140-29-4) → 3-methyl-1-phenyl-4-penten-2-one (135987-22-3)

Guidance literature:

With aluminium trichloride; zinc; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/S0040-4039(00)01446-5

Reference yield: 68.0%

2-hydroxy-3-butene (598-32-3) + phenylacetylene (536-74-3) → 3-methyl-1-phenyl-4-penten-2-one (135987-22-3)

Guidance literature:

With ammonium hexafluorophosphate; chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II); at 100 ℃; for 8h;

DOI:10.1021/jo00084a026

upstream raw materials:

2-hydroxy-3-butene

phenylacetylene

crotyltributylstannane

phenylacetyl chloride