1-Propanone, 2-methyl-1-(4-methylphenyl)-

Base Information

• Chemical Name: 1-Propanone, 2-methyl-1-(4-methylphenyl)-
• CAS No.: 50390-51-7
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2914399090
• European Community (EC) Number: 256-572-9
• UNII: R22HF43RUJ
• DSSTox Substance ID: DTXSID8074578
• Nikkaji Number: J673.813C
• Wikidata: Q82002859
• Mol file: 50390-51-7.mol

Synonyms:2,4'-Dimethylpropiophenone;50390-51-7;1-Propanone, 2-methyl-1-(4-methylphenyl)-;2-methyl-1-(4-methylphenyl)propan-1-one;2-Methyl-1-(p-tolyl)propan-1-one;EINECS 256-572-9;R22HF43RUJ;2-methyl-1-p-tolyl-propan-1-one;p-tolyl isopropyl ketone;1-(4-methylphenyl)-2-methyl-1-propanone;4'-methylisobutyrophenone;UNII-R22HF43RUJ;SCHEMBL585256;DTXSID8074578;AKOS000346257;1(4-methylphenyl)-2-methyl-1-propanone;2-Methyl-1-(4-methylphenyl)-1-propanone;2-Methyl-1-(4-methylphenyl)propane-1-one;BB 0221158;CS-0323039;2-Methyl-1-(4-methylphenyl)-1-propanone #;N13973;W-110994

Chemical Property of 1-Propanone, 2-methyl-1-(4-methylphenyl)-

Chemical Property:

• Melting Point: 235-236 °C
• Boiling Point: 242.1 °C at 760 mmHg
• Flash Point: 94.3 °
• PSA: 17.07000
• Density: 0.95 g/cm³
• LogP: 2.83370
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

2,4'-DIMETHYLPROPIOPHENONE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-Propanone, 2-methyl-1-(4-methylphenyl)-

There total 53 articles about 1-Propanone, 2-methyl-1-(4-methylphenyl)- 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: 98.0%

isobutyryl chloride (79-30-1) + toluene (108-88-3,15644-74-3,16713-13-6) → 4'-methylisobutyrophenone (50390-51-7)

Guidance literature:

With hydrogenchloride; aluminium trichloride; In water; at 60 ℃;

DOI:10.1039/b300815k

Reference yield: 97.0%

isopropylmagnesium bromide (920-39-8) + para-methylbenzonitrile (104-85-8) → 4'-methylisobutyrophenone (50390-51-7)

Guidance literature:

isopropylmagnesium bromide; para-methylbenzonitrile; With copper(I) bromide; In tetrahydrofuran; 2-methyltetrahydrofuran; at 0 - 60 ℃; for 4h; Inert atmosphere;

With water; In tetrahydrofuran; 2-methyltetrahydrofuran; at 0 ℃; Inert atmosphere;

With sulfuric acid; In tetrahydrofuran; 2-methyltetrahydrofuran; for 1h; Inert atmosphere; Reflux;

DOI:10.1021/ja300503k

Reference yield: 94.0%

methanol (67-56-1) + 4'-methylpropiophenone (5337-93-9) → 4'-methylisobutyrophenone (50390-51-7)

Guidance literature:

With C₂₁H₂₅ClIrN₂O₂⁽¹⁺⁾*Cl^(1-); potassium carbonate; at 120 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.organomet.8b00575

upstream raw materials:

2-methyl-1-(p-tolyl)propan-1-ol

2-methyl-1-p-tolyl-propan-1-one-imine

p-Toluic acid

isobutyric Acid

Downstream raw materials:

2-chloro-2-methyl-1-(4-methylphenyl)-1-propanone

1,1-Dimethyl-2-oxo-2-(p-tolyl)-aethansulfinylchlorid

α-Isopropyl-p-methylbenzylidenmalonsaeure-dinitril

1-(2-Methoxy-3,4,6-trimethylphenyl)-1-(4-methylphenyl)-2-methylpropanol

Refernces

• 1、 Biswal, Priyabrata,Chandrasekhar, Vadapalli,Meher, Sushanta Kumar,Samser, Shaikh,Venkatasubbaiah, Krishnan. "Palladium-Catalyzed Synthesis of α-Methyl Ketones from Allylic Alcohols and Methanol". . . Retrieved 2021/11/01.
• 2、 Chen, Jiangfei,Zhu, Yan-Ping,Li, Jin-Heng,Wang, Qiu-An. "External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with: O -benzoylhydroxylamines". supporting information. p. 5215 - 5218. Retrieved 2021/05/31.