2-Phenyloctan-4-one

Base Information

• Chemical Name: 2-Phenyloctan-4-one
• CAS No.: 51134-69-1
• Molecular Formula: C14H20O
• Molecular Weight: 204.312
• DSSTox Substance ID: DTXSID00555141
• Nikkaji Number: J3.061.674J
• Mol file: 51134-69-1.mol

Synonyms:2-PHENYLOCTAN-4-ONE;51134-69-1;DTXSID00555141

Chemical Property of 2-Phenyloctan-4-one

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Phenyloctan-4-one

There total 3 articles about 2-Phenyloctan-4-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: 89.0%

(E)-2-octen-4-one (22286-99-3) + phenylboronic acid (98-80-6) → 2-Phenyl-octan-4-one (51134-69-1)

Guidance literature:

Rh(dpm)(CO)2; 1,3-bis(2-diphenylphosphinomethylphenyl)benzene; In cyclohexane; water; at 60 ℃; for 16h;

DOI:10.1016/j.jorganchem.2007.09.034

Reference yield:

1-phenyl-hept-1-en-3-one (4071-84-5) + methyl iodide (74-88-4) → 2-Phenyl-octan-4-one (51134-69-1)

Guidance literature:

With copper(I) chloride; magnesium; Yield given. Multistep reaction; 1. ether; 2. room temperature, 8 h, reflux, 1 h;

Reference yield:

1,1-bis-phenylsulfanyl-pentane (56651-44-6) + tris(2-phenylpropyl)borane (51136-87-9) → 2-Phenyl-octan-4-one (51134-69-1)

Guidance literature:

Multistep reaction; (i) nBuLi, THF, (ii) aq. H₂O₂;

DOI:10.1246/cl.1973.961

upstream raw materials:

1,1-bis-phenylsulfanyl-pentane

tris(2-phenylpropyl)borane

1-phenyl-hept-1-en-3-one

methyl iodide

Downstream raw materials:

4-(1-Methyl-3-oxo-heptyl)-benzoic acid methyl ester