2077-13-6

Basic information

• Product Name: 2-chlorocumene
• Synonyms: 2-chlorocumene;1-Isopropyl-2-chlorobenzene
• CAS NO: 2077-13-6
• Molecular Formula: C₉H₁₁Cl
• Molecular Weight: 154.63664
• EINECS: 218-200-3
• Mol File: 2077-13-6.mol
• Article Data: 18

Chemical Properties

• Melting Point: -74.4°C
• Boiling Point: 191.15°C
• Flash Point: 71°C
• Appearance: /
• Density: 1.0324 (estimate)
• Vapor Pressure: 0.727mmHg at 25°C
• Refractive Index: 1.5168
• CAS DataBase Reference: 2-chlorocumene(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chlorocumene(2077-13-6)
• EPA Substance Registry System: 2-chlorocumene(2077-13-6)

Safety Data

• Hazardous Substances Data: 2077-13-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H11Cl/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3

Upstream product

• 108-90-7 chlorobenzene 
• 109-61-5 propoxycarbonyl chloride 
• 110-05-4 di-tert-butyl peroxide 
• 89-96-3 1-chloro-2-ethylbenzene 
• 98-82-8 Isopropylbenzene 
• 14596-60-2 N-chloro-N-(4-methylphenyl)acetamide 
• 75-26-3 isopropyl bromide 
• 42571-81-3 o-cumenyl chloroformate 
• 926-06-7 isopropyl methanesulfonate 
• 1068-55-9 isopropylmagnesium chloride 
• 95-50-1 1,2-dichloro-benzene 
• 82146-18-7 1-chloro-2,4-diisopropylbenzene 
• 187737-37-7 propene 

Downstream Products

• 3670-15-3 2-(2-chlorophenyl)propan-2-ol 
• 93007-80-8 2-benzamido-1-isopropylbenzene 
• 187737-37-7 propene 
• 74-98-6 propane 
• 108-90-7 chlorobenzene 
• 2621-46-7 1-chloro-4-isopropylbenzene 
• 7073-93-0 m-chlorocumene 
• 17902-71-5 trichloro-(3-isopropyl-phenyl)-silane 

Relevant articles and documents

Electrochemical C-H Halogenations of Enaminones and Electron-Rich Arenes with Sodium Halide (NaX) as Halogen Source for the Synthesis of 3-Halochromones and Haloarenes

Without employing an external oxidant, the simple synthesis of 3-halochromones and various halogenated electron-rich arenes has been realized with electrode oxidation by employing the simplest sodium halide (NaX, X = Cl, Br, I) as halogen source. This electrochemical method is advantageous for the simple and mild room temperature operation, environmental friendliness as well as broad substrate scope in both C-H bond donor and halogen source components.

Room temperature C(sp2)-H oxidative chlorination: Via photoredox catalysis

Photoredox catalysis has been developed to achieve oxidative C-H chlorination of aromatic compounds using NaCl as the chlorine source and Na2S2O8 as the oxidant. The reactions occur at room temperature and exhibit exclusive selectivity for C(sp2)-H bonds over C(sp3)-H bonds. The method has been used for the chlorination of a diverse set of substrates, including the expedited synthesis of key intermediates to bioactive compounds and a drug.

Microwave-assisted silica-supported aluminum chloride-catalyzed Friedel-Crafts alkylation

Microwave irradiation is a popular method in organic synthesis to achieve high yields in shorter reaction times. This decreases total 'man-hours' in a synthetic setting. Another technique used in organic chemistry to decrease manual manipulations, is solid support reagents. The benefits of this approach is that upon completion of a reaction, a simple filtration can be performed which expedites the work-up and also produces less organic waste. Friedel-Crafts alkylation has been explored using microwave chemistry as well as with solid-supported reagents. In comparison with traditional heating, as well as with AlCl3, superior yields were observed with silica-gel bound aluminum chloride (Si-AlClx) when microwave irradiated for only 5 min.