4-Methylbenzylideneacetophenone

Base Information

• Chemical Name: 4-Methylbenzylideneacetophenone
• CAS No.: 4224-87-7
• Molecular Formula: C16H14 O
• Molecular Weight: 222.287
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID701316716
• Mol file: 4224-87-7.mol

Synonyms:4-Methylbenzylideneacetophenone;DTXSID701316716;AKOS017085625;FT-0771962

Chemical Property of 4-Methylbenzylideneacetophenone

Chemical Property:

• Vapor Pressure: 1.79E-05mmHg at 25°C
• Refractive Index: 1.4600 (estimate)
• Boiling Point: 363.6°Cat760mmHg
• Flash Point: 157.7°C
• PSA: 17.07000
• Density: 1.078g/cm³
• LogP: 3.89110
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 222.104465066
• Heavy Atom Count: 17
• Complexity: 265

Purity/Quality:

99%, ^*data from raw suppliers

4-METHYLCHALCONE Aldrich ^*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=CC(=O)C2=CC=CC=C2

Technology Process of 4-Methylbenzylideneacetophenone

There total 86 articles about 4-Methylbenzylideneacetophenone 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: 100.0%

4-Methylbenzyl alcohol (589-18-4) + acetophenone (98-86-2) → 4-methyl-chalcone (4224-87-7)

Guidance literature:

With titanium nitride; potassium hydroxide; In toluene; at 100 ℃; for 10h; Sealed tube; Irradiation;

DOI:10.1021/acscatal.9b04921

Reference yield: 99.0%

4-methyl-benzaldehyde (104-87-0) + acetophenone (98-86-2) → (E)-3-(4-methylphenyl)-1-phenyl-2-propen-1-one (22252-14-8,72758-77-1,4224-87-7)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃;

DOI:10.1055/s-2003-40508

Reference yield: 98.2%

4-methyl-benzaldehyde (104-87-0) + acetophenone (98-86-2) → 4-methyl-chalcone (4224-87-7)

Guidance literature:

With sulfated TiO₂ (5 wtpercent sulfate); for 0.0333333h; Microwave irradiation; Neat (no solvent);

DOI:10.1016/j.catcom.2010.10.015

upstream raw materials:

4-methyl-benzaldehyde

acetophenone

2,3-dibromo-1-phenyl-3-p-tolyl-propan-1-one

bis(benzoylmethyl) sulfoxide

Downstream raw materials:

1-phenyl-3-(4-tolyl)propan-1-one

5-morpholin-4-yl-1-phenyl-3-p-tolyl-pentan-1-one

5-Phenyl-7-p-tolyl-4,7-dihydro-tetrazolo[1,5-a]pyrimidine

8-Phenyl-6-p-tolyl-8,9-dihydro-7H-tetrazolo[1,5-b][1,2,4]triazepine

Refernces

• 1、 Illam, Praseetha Mathoor,Rit, Arnab. "Electronically tuneable orthometalated RuII–NHC complexes as efficient catalysts for C–C and C–N bond formations via borrowing hydrogen strategy". . p. 67 - 74. Retrieved 2022/01/19.
• 2、 Aryanasab, Fezzeh. "Mizoroki–Heck coupling reaction on the surface of sepiolite clay-supported Pd/Cu nanoalloy". . . Retrieved 2022/02/14.