4810-05-3

Basic information

• Product Name: 1,3,5-trimethyl-2-(prop-2-en-1-yl)benzene
• Synonyms: 2-Allyl-1,3,5-trimethylbenzene; benzene, 1,3,5-trimethyl-2-(2-propen-1-yl)-
• CAS NO: 4810-05-3
• Molecular Formula: C₁₂H₁₆
• Molecular Weight: 160.2554
• Mol File: 4810-05-3.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 230.8°C at 760 mmHg
• Flash Point: 87.3°C
• Density: 0.877g/cm³
• Vapor Pressure: 0.0978mmHg at 25°C
• Refractive Index: 1.509
• CAS DataBase Reference: 1,3,5-trimethyl-2-(prop-2-en-1-yl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-trimethyl-2-(prop-2-en-1-yl)benzene(4810-05-3)
• EPA Substance Registry System: 1,3,5-trimethyl-2-(prop-2-en-1-yl)benzene(4810-05-3)

Safety Data

• Hazardous Substances Data: 4810-05-3(Hazardous Substances Data)

Usage

Appearance

Colorless liquid

Odor

Pungent

Natural occurrence

Found in crude oil and coal tar

Production

Produced during the combustion of gasoline and diesel fuels

Uses

a. Solvent in the production of various chemicals
b. Starting material in the synthesis of pharmaceuticals and fragrances
c. Component in the production of high-purity silicon for electronics
d. Reagent in organic chemistry reactions

Toxicity

Low toxicity, but high concentrations may cause irritation to eyes, skin, and respiratory tract

Upstream product

• 60-29-7 diethyl ether 
• 583-04-0 vinyl benzoate 
• 106-95-6 allyl bromide 
• 2633-66-1 2-mesitylmagnesium bromide 
• 107-05-1 3-chloroprop-1-ene 
• 576-83-0 2,4,6-trimethylphenyl bromide 
• 4278-95-9 4-allyl-2,4,6-trimethylcyclohexa-2,5-dien-1-one 
• 4278-92-6 6-allyl-2,4,6-trimethyl-2,4-cyclohexadien-1-one 
• 88106-86-9 3-mesityl-1-propanesulfonyl azide 
• 75732-01-3 mesitylcopper(I) 
• 4873-09-0 allyl tosylate 
• 108-67-8 1,3,5-trimethyl-benzene 
• 88107-01-1 3-(2,4,6-Trimethyl-phenyl)-propane-1-sulfonyl chloride 
• 527-60-6 Mesitol 

Downstream Products

• 1067909-08-3 (E)-2-(3-mesitylallyl)-1-phenylbutane-1,3-dione 
• 30186-06-2 4-(2,4,6-trimethylphenyl)butyric acid 
• 1455397-20-2 (E)-dimethyl 2-(3-mesitylallyl)-2-(trifluoromethyl)malonate 
• 4810-04-2 1,3,5-trimethyl-2-propyl-benzene 

Relevant articles and documents

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Electrochemical Vicinal Difluorination of Alkenes: Scalable and Amenable to Electron-Rich Substrates

Fluorinated alkyl groups are important motifs in bioactive compounds, positively influencing pharmacokinetics, potency and conformation. The oxidative difluorination of alkenes represents an important strategy for their preparation, yet current methods are limited in their alkene-types and tolerance of electron-rich, readily oxidized functionalities, as well as in their safety and scalability. Herein, we report a method for the difluorination of a number of unactivated alkene-types that is tolerant of electron-rich functionality, giving products that are otherwise unattainable. Key to success is the electrochemical generation of a hypervalent iodine mediator using an “ex-cell” approach, which avoids oxidative substrate decomposition. The more sustainable conditions give good to excellent yields in up to decagram scales.

Palladium-catalyzed oxidative allylation of bis[(pinacolato)boryl]methane: Synthesis of homoallylic boronic esters

A palladium-catalyzed oxidative allylation of bis[(pinacolato)boryl]methane to afford the corresponding homoallylic organoboronic esters with moderate to excellent yields is reported. This novel transformation provides an efficient strategy for the construction of homoallylic organoboronic esters in one step with a broad substrate scope. It is proposed that the palladium-catalyzed oxidative allylic C-H bond activation process may be involved in the catalytic cycle.