7399-49-7

Basic information

• Product Name: 2-ISOPROPENYLTOLUENE
• Synonyms: ALPHA,2-DIMETHYLSTYRENE;2-ISOPROPENYLTOLUENE;1-Isopropenyl-2-methylbenzene;1-isopropenyl-2-methyl-benzene;1-methyl-2-isopropenylbenzene;1-Methyl-2-iso-propenylbenzene;2-(2-methylphenyl)-1-propene;benzene,1-methyl-2-(1-methylethenyl)-
• CAS NO: 7399-49-7
• Molecular Formula: C₁₀H₁₂
• Molecular Weight: 132.2
• EINECS: 230-996-4
• Mol File: 7399-49-7.mol
• Article Data: 30

Chemical Properties

• Melting Point: -59.27°C (estimate)
• Boiling Point: 54 °C11 mm Hg(lit.)
• Flash Point: 110 °F
• Appearance: /
• Density: 0.894 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.515(lit.)
• CAS DataBase Reference: 2-ISOPROPENYLTOLUENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ISOPROPENYLTOLUENE(7399-49-7)
• EPA Substance Registry System: 2-ISOPROPENYLTOLUENE(7399-49-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: UN 3295 3/PG 3
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 7399-49-7(Hazardous Substances Data)

Usage

General Description

2-Isopropylytoluene, also known as p-isopropenyltoluene or 4-(1-methylethyl)toluene, is a colorless to pale yellow liquid that is primarily used as a chemical intermediate in the production of polymers and resins. It is also used as a solvent in various industries. 2-Isopropylytoluene is classified as a volatile organic compound (VOC) and can contribute to air pollution. It is important to handle and store this chemical with caution as it is flammable and may be harmful if ingested, inhaled, or comes into contact with the skin. Proper ventilation and protective equipment should be used when working with 2-isopropylytoluene to minimize exposure and reduce health risks.

InChI:InChI=1S/C10H12/c1-8(2)10-7-5-4-6-9(10)3/h4-7H,1H2,2-3H3

Upstream product

• 7572-79-4 2-(2-methylphenyl)propan-2-ol 
• 108-24-7 acetic anhydride 
• 75-36-5 acetyl chloride 
• 1779-49-3 Methyltriphenylphosphonium bromide 
• 577-16-2 2-Methylacetophenone 
• 89-71-4 2-Methyl-benzoic acid methyl ester 
• 160929-84-0 Trimethyl-{2-[1-methyl-1-(toluene-4-sulfonyl)-ethyl]-benzyl}-silane 
• 141-05-9 Diethyl maleate 
• 95-46-5 2-methylphenyl bromide 
• 13291-18-4 isopropenylmagnesium bromide 
• 144-62-7 oxalic acid 
• 917-64-6 methyl magnesium iodide 
• 122-00-9 para-methylacetophenone 
• 75-24-1 trimethylaluminum 

Downstream Products

• 50910-03-7 1-(1-Methyl-1-o-tolyl-ethyl)-3-m-tolyl-urea 
• 42609-70-1 1-(1-Methyl-1-o-tolyl-ethyl)-3-p-tolyl-urea 
• 1124-20-5 2-(3-methylphenyl)propene 
• 82902-68-9 cis-9,9-dimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene 
• 527-84-4 2-methylisopropylbenzene 
• 577-16-2 2-Methylacetophenone 
• 445235-57-4 1-(3-bromoprop-1-en-2-yl)-2-methylbenzene 

Relevant articles and documents

Experimental and Computational Studies of Palladium-Catalyzed Spirocyclization via a Narasaka-Heck/C(sp3or sp2)-H Activation Cascade Reaction

The first synthesis of highly strained spirocyclobutane-pyrrolines via a palladium-catalyzed tandem Narasaka-Heck/C(sp3 or sp2)-H activation reaction is reported here. The key step in this transformation is the activation of a δ-C-H bond via an in situ generated σ-alkyl-Pd(II) species to form a five-membered spiro-palladacycle intermediate. The concerted metalation-deprotonation (CMD) process, rate-determining step, and energy barrier of the entire reaction were explored by density functional theory (DFT) calculations. Moreover, a series of control experiments was conducted to probe the rate-determining step and reversibility of the C(sp3)-H activation step.

Ni-Catalyzed Reductive Allylation of α-Chloroboronates to Access Homoallylic Boronates

The transition-metal-catalyzed allylation reaction is an efficient strategy for the construction of new carbon-carbon bonds alongside allyl or homoallylic functionalization. Herein we describe a Ni-catalyzed reductive allylation of α-chloroboronates to efficiently render the corresponding homoallylic boronates, which could be readily converted into valuable homoallylic alcohols or amines or 1,4-diboronates. This reaction features a broad substrate scope with good functional group compatibility that is complementary to the existing methods for the preparation of homoallylic boronates.

Stereoselective Synthesis of Vinylcyclopropa[ b]indolines via a Rh-Migration Strategy

A mild rhodium catalytic system has been developed to synthesize vinylcyclopropa[b]indolines through cyclopropanation of indoles with vinyl carbenoids generated from ring opening of cyclopropenes in situ. By employing a Rh-migration strategy, the products can be obtained with good to excellent E:Z ratios (≤99:1) and complete diastereoselectivity (≤99:1). This method is easy, has a low catalyst loading, and works for a broad range of functionalities.