1-(4-Methylphenyl)-2-phenylethanone

Base Information

• Chemical Name: 1-(4-Methylphenyl)-2-phenylethanone
• CAS No.: 2001-28-7
• Molecular Formula: C15H14O
• Molecular Weight: 210.276
• Hs Code.: 2914390090
• NSC Number: 20572
• DSSTox Substance ID: DTXSID80281158
• Nikkaji Number: J469.935A
• Wikidata: Q82014947
• ChEMBL ID: CHEMBL1698850
• Mol file: 2001-28-7.mol

Synonyms:2001-28-7;1-(4-methylphenyl)-2-phenylethanone;4'-Methyl-2-phenylacetophenone;2-Phenyl-1-(p-tolyl)ethanone;2-Phenyl-1-p-tolylethanone;BENZYL P-TOLUYLKETONE;MLS002638731;MFCD00017215;1-(4-methylphenyl)-2-phenylethan-1-one;NSC20572;p-tolyl benzyl ketone;2-Phenyl-1-p-tolyl-ethanone;SCHEMBL1515693;2-Phenyl-1-(4-tolyl)ethanone;CHEMBL1698850;2-phenyl-1-(p-tolyl)-ethanone;DTXSID80281158;RDBAEHHVVNBKBB-UHFFFAOYSA-N;(Benzyl)-(4-methylphenyl)-ketone;HMS3086P07;NSC-20572;STK735534;AKOS003261223;SMR001469411;FT-0633969;A814164;AE-641/00345036

Chemical Property of 1-(4-Methylphenyl)-2-phenylethanone

Chemical Property:

• Vapor Pressure: 7.25E-05mmHg at 25°C
• Melting Point: 108-110 °C
• Refractive Index: 1.576
• Boiling Point: 343 °C at 760 mmHg
• Flash Point: 147.7 °C
• PSA: 17.07000
• Density: 1.062 g/cm³
• LogP: 3.42040
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzylp-Toluylketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2

Technology Process of 1-(4-Methylphenyl)-2-phenylethanone

There total 123 articles about 1-(4-Methylphenyl)-2-phenylethanone 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%

4-methylphenylboronic acid (5720-05-8) + phenylacetonitrile (140-29-4) → 2-phenyl-1-p-tolyl-ethanone (2001-28-7)

Guidance literature:

With ammonium chloride; bipyridine-cyclopalladated ferrocenylimine complex; In water; at 100 ℃; for 24h;

DOI:10.1055/s-2007-992359

Reference yield: 86.0%

bromobenzene (108-86-1,52753-63-6) + para-methylacetophenone (122-00-9) → 2-phenyl-1-p-tolyl-ethanone (2001-28-7)

Guidance literature:

With FibreCat^TM 1000-D₇; sodium t-butanolate; In tetrahydrofuran; at 85 ℃; for 6h;

DOI:10.1016/j.tet.2003.12.065

Reference yield: 84.0%

tri(p-tolyl)bismuth (5142-75-6) + phenylacetyl chloride (103-80-0) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 2-phenyl-1-p-tolyl-ethanone (2001-28-7)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; triethylamine; In tetrahydrofuran; at 80 ℃; for 3h; Schlenk tube; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.08.074

upstream raw materials:

1-methyl-4-nitrosobenzene

3-hydroxy-2,4-diphenyl-3-p-tolyl-butyric acid

tetrachloromethane

diethyl ether

Downstream raw materials:

2,3-diphenyl-1-p-tolyl-propan-1-one

2-(4-methylphenyl)-3-phenylindole

(4-methoxy-bibenzyl-α-yl)-methyl-amine

rac-1-(4-methylphenyl)-2-phenylpropan-1-one

Refernces

• 1、 Johnston,Wong. "Surface photochemistry: 13C enrichment by photolysis on silica gel". . p. 1999 - 2005. Retrieved 1984.
• 2、 Luo, Mengqiang,Zhang, Yaohong,Fang, Ping,Li, Yan,Qi, Chenze,Li, Yong,Shen, Runpu,Cheng, Kai,Wang, Hai. "H2O2-mediated room temperature synthesis of 2-arylacetophenones from arylhydrazines and vinyl azides in water". supporting information. p. 630 - 635. Retrieved 2022/02/01.
• 3、 Li, Lei,Liu, Chuang,Sun, Ran,Wang, He,Wang, Lijia,Wang, Xin,Zhou, Ming-Dong. "Visible-Light-Promoted [3 + 2] Cycloaddition of 2H-Azirines with Quinones: Access to Substituted Benzo[f]isoindole-4,9-diones". supporting information. . Retrieved 2022/01/22.