2'-Methylpropiophenone

Base Information

• Chemical Name: 2'-Methylpropiophenone
• CAS No.: 2040-14-4
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• Hs Code.: 2914399090
• European Community (EC) Number: 815-280-7
• NSC Number: 100176
• DSSTox Substance ID: DTXSID90295185
• Nikkaji Number: J1.026.324G
• Wikidata: Q72495155
• Mol file: 2040-14-4.mol

Synonyms:2'-Methylpropiophenone;2040-14-4;1-(2-methylphenyl)propan-1-one;1-(o-tolyl)propan-1-one;1-o-Tolyl-propan-1-one;1-Propanone, 1-(2-methylphenyl)-;MFCD05663689;1-Propanone, 1-(methylphenyl)-;o-Methylpropiophenone;NSC100176;Propiophenone, 2'-methyl-;1-(o-Tolyl)-1-propanone;ETHYL-O-TOLYL KETONE;NCIOpen2_002142;ghl.PD_Mitscher_leg0.551;SCHEMBL364889;DTXSID90295185;1-(2-Methylphenyl)-1-propanone #;AKOS010014649;NSC-100176;PS-3979;SY104564;CS-0152651;N12114;InChI=1/C10H12O/c1-3-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H

Chemical Property of 2'-Methylpropiophenone

Chemical Property:

• Vapor Pressure: 0.119mmHg at 25°C
• Melting Point: -27.6°C
• Refractive Index: 1.506
• Boiling Point: 219.5 °C at 760 mmHg
• Flash Point: 93.8 °C
• PSA: 17.07000
• Density: 0.963 g/cm³
• LogP: 2.58770
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99%, ^*data from raw suppliers

2''-Methylpropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=CC=C1C

Technology Process of 2'-Methylpropiophenone

There total 26 articles about 2'-Methylpropiophenone 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: 97.0%

2-Methylbenzonitrile (529-19-1) + ethyl iodide (75-03-6) → 2-methylpropiophenone (2040-14-4)

Guidance literature:

ethyl iodide; With iodine; magnesium; In diethyl ether; for 1.5h; Heating;

2-Methylbenzonitrile; In diethyl ether; for 2h; Heating;

DOI:10.1021/jo040173x

Reference yield: 95.0%

1-(2-methylphenyl)-1-propanol (61017-92-3) → 2-methylpropiophenone (2040-14-4)

Guidance literature:

With jones reagent; In acetone; at 20 - 30 ℃;

DOI:10.1021/jo00359a005

Reference yield: 90.0%

propionic acid anhydride (123-62-6) + toluene (108-88-3,15644-74-3,16713-13-6) → 2-methylpropiophenone (2040-14-4) + 4'-methylpropiophenone (5337-93-9)

Guidance literature:

HZSM-5; at 250 ℃; for 12h; Yield given; other catalyst: HY-Zeolite;

DOI:10.1080/00397919708004197

upstream raw materials:

ethylmagnesium iodide

2-Methylbenzonitrile

ethylmagnesium bromide

1-(2-methylphenyl)-1-propanol

Downstream raw materials:

(E)-3-o-Tolyl-pent-2-enoic acid tert-butyl ester

(S)-1-(2-methylphenyl)-1-propanol

(R)-1-o-tolyl-propan-1-ol

1-(2-methylphenyl)-2-methylprop-2-en-1-one

Refernces

• 1、 Sai, Masahiro. "KOtBu/DMSO Catalytic System for Isomerization of Allylic Alcohols to Ketones". supporting information. . Retrieved 2022/04/03.
• 2、 Elorriaga, David,García-álvarez, Joaquín,González-Sabín, Javier,Hevia, Eva,Morís, Francisco,Presa Soto, Alejandro,Ríos-Lombardía, Nicolás,Rodríguez-álvarez, María Jesús. "Combination of organocatalytic oxidation of alcohols and organolithium chemistry (RLi) in aqueous media, at room temperature and under aerobic conditions". supporting information. p. 8932 - 8935. Retrieved 2020/08/17.