4-Methyl-3-phenylpentan-2-one

Base Information

• Chemical Name: 4-Methyl-3-phenylpentan-2-one
• CAS No.: 15934-57-3
• Molecular Formula: C12H16 O
• Molecular Weight: 176.258
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID70379795
• Nikkaji Number: J496.621J
• Mol file: 15934-57-3.mol

Synonyms:4-methyl-3-phenylpentan-2-one;15934-57-3;4-METHYL-3-PHENYLPENTAN-2-ONE, TECH;2-Pentanone, 4-methyl-3-phenyl-;SCHEMBL8283809;DTXSID70379795;4-Methyl-3-phenylpentan-2-one,tech;MFCD00177936;AKOS006228040;CS-0272290;E85112;EN300-1861014

Chemical Property of 4-Methyl-3-phenylpentan-2-one

Chemical Property:

• Boiling Point: 115-118 °C(Press: 28 Torr)
• PSA: 17.07000
• Density: 0.944±0.06 g/cm3(Predicted)
• LogP: 3.01520
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

4-METHYL-3-PHENYLPENTAN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C1=CC=CC=C1)C(=O)C
• Uses: 4-Methyl-3-phenylpentan-2-one can be used for fungicidal activity.

Technology Process of 4-Methyl-3-phenylpentan-2-one

There total 14 articles about 4-Methyl-3-phenylpentan-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: 87.0%

isopropyl bromide (75-26-3) + 1-phenyl-acetone (103-79-7,136675-26-8) → 3-phenyl-4-methylpentan-2-one (15934-57-3)

Guidance literature:

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

Reference yield: 63.0%

1-Phenyl-2-propanone Dianion (63866-06-8) + isopropyl bromide (75-26-3) → 3-phenyl-4-methylpentan-2-one (15934-57-3)

Guidance literature:

In tetrahydrofuran; for 4h; Ambient temperature;

DOI:10.1021/jo00166a004

Reference yield:

2-iodo-propane (75-30-9) + 1-phenyl-acetone (103-79-7,136675-26-8) → 3-phenyl-4-methylpentan-2-one (15934-57-3)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01101a017

upstream raw materials:

2,3-dimethyl-1-phenyl-butane-1,2-diol

isopropyl bromide

1-phenyl-acetone

2-iodo-propane

Downstream raw materials:

5-methyl-4-phenyl-1-piperidino-hexan-3-one; hydrochloride

(E)-3,5-dimethyl-4-phenylhex-2-en-1-ol

1-Amino-3-methyl-2-naphthalenecarbonitrile

Refernces

• 1、 Aranda, Alfonso,Diaz, Angel,Diez-Barra, Enrique,Hoz, Antonio de la,Moreno, Andres,Sanchez-Verdu, Prado. "Solid-Liquid Phase-Transfer Catalysis without Solvent: Selective Mono- and Di-alkylation of Benzyl Methyl Ketone". . p. 2427 - 2430. Retrieved 2007/10/02.
• 2、 Trimitsis, G. B.,Hinkley, J. M.,TenBrink, R.,Faburada, A. L.,Anderson, R.,et al.. "Formation and Reactions of 1-Phenyl-2-propanone Dianion and Related Systems with Electrophilic Reagents". . p. 2957 - 2962. Retrieved 2007/10/02.