4'-Methyl-3-phenylpropiophenone

Base Information

• Chemical Name: 4'-Methyl-3-phenylpropiophenone
• CAS No.: 5012-90-8
• Molecular Formula: C16H16 O
• Molecular Weight: 224.302
• Hs Code.: 2914399090
• NSC Number: 83179
• DSSTox Substance ID: DTXSID40292487
• Nikkaji Number: J1.608.352F
• Wikidata: Q82030809
• Mol file: 5012-90-8.mol

Synonyms:4'-METHYL-3-PHENYLPROPIOPHENONE;5012-90-8;1-(4-methylphenyl)-3-phenylpropan-1-one;MFCD00957163;NSC83179;NCIOpen2_004644;4-Methylphenyl phenethyl ketone;SCHEMBL12330301;3-phenyl-1-p-tolylpropan-1-one;DTXSID40292487;3-phenyl-1-(p-tolyl)propan-1-one;NSC-83179;AKOS009346292

Chemical Property of 4'-Methyl-3-phenylpropiophenone

Chemical Property:

• Vapor Pressure: 9.67E-06mmHg at 25°C
• Boiling Point: 372.4°C at 760 mmHg
• Flash Point: 162°C
• PSA: 17.07000
• Density: 1.045g/cm³
• LogP: 3.81050
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 224.120115130
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

4'-Methyl-3-phenylpropiophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2

Technology Process of 4'-Methyl-3-phenylpropiophenone

There total 78 articles about 4'-Methyl-3-phenylpropiophenone 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%

para-methylacetophenone (122-00-9) + benzyl alcohol (100-51-6,185532-71-2) → 4-methylphenyl phenethyl ketone (5012-90-8)

Guidance literature:

With potassium phosphate tribasic trihydrate; C₃₉H₃₂Cl₂N₅PRu; In tert-Amyl alcohol; at 120 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.8b00013

Reference yield: 98.0%

3-phenyl-1-p-tolylprop-2-en-1-one (4224-96-8) → 4-methylphenyl phenethyl ketone (5012-90-8)

Guidance literature:

With indium; isopropyl alcohol; cobalt(II) iodide; 1,2-bis-(dicyclohexylphosphino)ethane; In toluene; at 80 ℃; for 24h; chemoselective reaction; Glovebox; Inert atmosphere; Green chemistry;

DOI:10.1002/cctc.201900010

Reference yield: 97.0%

CH3C6H4CH(CH3)OH (536-50-5) + benzyl alcohol (100-51-6,185532-71-2) → 4-methylphenyl phenethyl ketone (5012-90-8)

Guidance literature:

With Cu-Ag supported on hydrotalcite; In o-xylene; at 150 ℃; for 8h; Inert atmosphere;

DOI:10.1039/c5ra22542f

upstream raw materials:

1-(4-methylphenyl)-3-phenylprop-2-en-1-ol

p-Toluic acid

3-Phenylpropionic acid

para-methylacetophenone

Downstream raw materials:

[4-(2-Diaethylamino-aethoxy)-phenyl]-(4-methyl-phenyl)-phenaethyl-methanol

1-(4-methylphenyl)indene

2-(4-methyl-phenyl)-indene

2-bromo-1-(4-methylphenyl)-3-phenyl-1-propanone

Refernces

• 1、 Singh, Anshu,Maji, Ankur,Joshi, Mayank,Choudhury, Angshuman R.,Ghosh, Kaushik. "Designed pincer ligand supported Co(ii)-based catalysts for dehydrogenative activation of alcohols: Studies onN-alkylation of amines, α-alkylation of ketones and synthesis of quinolines". . p. 8567 - 8587. Retrieved 2021/06/30.
• 2、 Kaur, Mandeep,U Din Reshi, Noor,Patra, Kamaless,Bhattacherya, Arindom,Kunnikuruvan, Sooraj,Bera, Jitendra K.. "A Proton-Responsive Pyridyl(benzamide)-Functionalized NHC Ligand on Ir Complex for Alkylation of Ketones and Secondary Alcohols". supporting information. p. 10737 - 10748. Retrieved 2021/06/15.