21551-47-3

Basic information

• Product Name: (E)-1,3-bis(4-methylphenyl)prop-2-en-1-one
• Synonyms: (E)-1,3-bis(4-methylphenyl)prop-2-en-1-one
• CAS NO: 21551-47-3
• Molecular Formula: C₁₇H₁₆O
• Molecular Weight: 236.31
• Mol File: 21551-47-3.mol
• Article Data: 52

Chemical Properties

• Boiling Point: 389.3°C at 760 mmHg
• Flash Point: 169.9°C
• Appearance: /
• Density: 1.062g/cm³
• Vapor Pressure: 2.88E-06mmHg at 25°C
• Refractive Index: 1.606
• CAS DataBase Reference: (E)-1,3-bis(4-methylphenyl)prop-2-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-1,3-bis(4-methylphenyl)prop-2-en-1-one(21551-47-3)
• EPA Substance Registry System: (E)-1,3-bis(4-methylphenyl)prop-2-en-1-one(21551-47-3)

Safety Data

• Hazardous Substances Data: 21551-47-3(Hazardous Substances Data)

Usage

General Description

(E)-1,3-bis(4-methylphenyl)prop-2-en-1-one is a chemical compound that belongs to the class of chalcones, which are aromatic ketones with highly conjugated structures. It is a yellow crystalline compound with a strong odor that is commonly used as a flavoring agent and in the production of perfumes. The compound is also known for its potential biological activities, including antifungal, antibacterial, and anti-inflammatory properties. Additionally, it is utilized in organic synthesis as a precursor for the preparation of various pharmaceuticals and other organic compounds. However, it is important to note that (E)-1,3-bis(4-methylphenyl)prop-2-en-1-one should be handled and used with caution due to its potential hazards and its association with irritant effects on the skin, eyes, and respiratory system.

InChI:InChI=1/C17H16O/c1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16/h3-12H,1-2H3/b12-9+

Upstream product

• 104-87-0 4-methyl-benzaldehyde 
• 122-00-9 para-methylacetophenone 
• 13677-51-5 1,3-bis(4-methylphenyl)prop-2-en-1-ol 
• 589-18-4 4-Methylbenzyl alcohol 
• 536-50-5 CH₃C₆H₄CH(CH₃)OH 
• 166824-04-0 4-methyl-α-[(1E)-2-(4-methylphenyl)ethenyl]benzenemethanol 
• 13565-37-2 trans-4,4'-dimethylchalcone 
• 6097-27-4 2-thiocyanato-1-(4-tolyl)ethanone 

Downstream Products

• 74007-60-6 3-Methoxy-2,3-di-p-tolyl-propionic acid methyl ester 
• 74007-51-5 3,3-Dimethoxy-1,2-di-p-tolyl-propan-1-one 
• 26307-41-5 2-Methyl-1,3-di-p-tolyl-propan-1-one 
• 13677-51-5 1,3-bis(4-methylphenyl)prop-2-en-1-ol 
• 929449-76-3 C₂₆H₂₃N₃S 
• 676333-87-2 2,3-dihydro-2,4-dip-tolyl-1H-benzo[b][1,5]diazepine 
• 849908-86-7 1,3,5-tri-p-tolyl-pentane-1,5-dione 

Relevant articles and documents

Palladium-Catalyzed Synthesis of α-Methyl Ketones from Allylic Alcohols and Methanol

One-pot synthesis of α-methyl ketones starting from 1,3-diaryl propenols or 1-aryl propenols and methanol as a C1 source is demonstrated. This one-pot isomerization-methylation is catalyzed by commercially available Pd(OAc)2 with H2O as the only by-product. Mechanistic studies and deuterium labelling experiments indicate the involvement of isomerization of allyl alcohol followed by methylation through a hydrogen-borrowing pathway in these isomerization-methylation reactions.

Bu4NHSO4-Catalyzed Direct N-Allylation of Pyrazole and its Derivatives with Allylic Alcohols in Water: A Metal-Free, Recyclable and Sustainable System

Allylic amines are valuable and functional building blocks. Direct N-allylation of pyrazole and its derivatives as an atom economic strategy to provide allylic amines has been achieved only using commercial Bu4NHSO4 as the metal-free catalyst and water as the solvent without any additives. 11–93% isolated yields were obtained for the N-allylation of pyrazole and its derivatives with allylic alcohols. Bu4NHSO4 could be reused for six times by simple extraction nearly without loss of catalytic activity and was also suitable for a gram-scale production. The reaction of allylic ether and pyrazole did not occur to give the desired product indicated that allylic ether was not the active intermediate in the pathway. Density functional theory (DFT) calculations reveal that there are hydrogen bonding effects among substrates, solvent and catalyst, especially the one formed between allylic alcohol and H2O. Control experiments in different protic solvents further demonstrate the intermolecular hydrogen bonding of allylic alcohol and water. (Figure presented.).

Synthesis method of chalcone derivative

The invention provides a synthesis method of a chalcone derivative, which comprises the following steps: adding polyphosphoric acid PPA and a solvent 1, 4-dioxane into a container, sequentially adding98% concentrated sulfuric acid, substituted benzaldehyd