17059-45-9

Basic information

• Product Name: 1,3-dimethyl-2-propylbenzene
• Synonyms: 1,3-Dimethyl-2-n-Propylbenzene; 1,3-Dimethyl-2-propylbenzene; benzene, 1,3-dimethyl-2-propyl-
• CAS NO: 17059-45-9
• Molecular Formula: C₁₁H₁₆
• Molecular Weight: 148.2447
• Mol File: 17059-45-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 207.6°C at 760 mmHg
• Flash Point: 76.4°C
• Density: 0.865g/cm³
• Vapor Pressure: 0.321mmHg at 25°C
• Refractive Index: 1.496
• CAS DataBase Reference: 1,3-dimethyl-2-propylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-dimethyl-2-propylbenzene(17059-45-9)
• EPA Substance Registry System: 1,3-dimethyl-2-propylbenzene(17059-45-9)

Safety Data

• Hazardous Substances Data: 17059-45-9(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Distinct sweet odor

Solubility

Insoluble in water, soluble in organic solvents

Uses

a. Precursor in the production of phenol and acetone
b. Solvent in various industrial processes
c. Fuel additive to improve octane ratings

Flammability

Flammable

Hazardous nature

Potentially hazardous substance

Safety measures

Handle with caution and follow appropriate safety measures

Upstream product

• 576-26-1 2.6-dimethylphenol 
• 80041-89-0 isopropylboronic acid 
• 86364-02-5 2,6-dimethylphenyl trifluoromethanesulphonate 
• 107-08-4 1-iodo-propane 
• 21450-64-6 (2,6-dimethylphenyl)magnesium bromide 

Relevant articles and documents

Efficient cross-coupling of aryl/alkenyl triflates with acyclic secondary alkylboronic acids

Aryl-secondary alkyl cross-coupling with aryl sulfonate esters as coupling partners remains a significant challenge. Efficient cross-coupling between aryl/alkenyl triflates and acyclic secondary alkylboronic acids is realized for the first time to provide a series of sterically congested acyclic secondary alkyl arenes/olefins in good to excellent yields. The employment of sterically bulky P,PO ligand L1/L2 is crucial for the high yields and selectivities. The method has enabled a concise and 4-step synthesis of a key intermediate of male contraceptive agent and PAF antagonist gossypol.

Catalytic alkylation of aryl Grignard reagents by iron(iii) amine-bis(phenolate) complexes

Reaction of n-propylamino-N,N-bis(2-methylene-4-tert-butyl-6-methylphenol), H2L1, n-propylamino-N,N-bis(2-methylene-4,6-di-tert-butylphenol), H2L2, and benzylamino-N,N-bis(2-methylene-4-tert-butyl-6- methylphenol), H2L3, with anhydrous ferric chloride in the presence of base yields the products, [FeL1(μ-Cl)]2 (1), [FeL2(μ-Cl)]2 (2) and [FeL3(μ-Cl)]2 (3). In the solid state, these complexes exist as chloride-bridged dimers giving distorted trigonal bipyramidal iron(iii) ions. Reaction of H2L1 with FeBr 3, however, results in the formation of a tetrahedral iron(iii) complex possessing two bromide ligands. The amine-bis(phenolate) ligand is bidentate in this complex and bonds to the iron(iii) ion via the phenolate O-donors. The central amine donor is protonated, resulting in a quaternized ammonium fragment and the iron(iii) centre possesses a negative formal charge. As a result, this complex is zwitterionic and formulated as FeBr2L1H (4). Complex 1 is an air-stable, non-hygroscopic, single-component catalyst for C-C cross-coupling of aryl Grignard reagents with primary and secondary alkyl halides, including chlorides. Good to excellent yields of cross-coupled products are obtained in diethyl ether at room temperature. In some cases where low yields are obtained under these conditions, the use of microwave-assisted heating of the reaction mixture can improve yields. The Royal Society of Chemistry 2011.