514821-16-0

Basic information

• Product Name: 4-(2-METHYL-ALLYL)-BENZOIC ACID ETHYL ESTER
• Synonyms: 4-(2-METHYL-ALLYL)-BENZOIC ACID ETHYL ESTER;3-(4-CARBOETHOXYPHENYL)-2-METHYL-1-PROPENE
• CAS NO: 514821-16-0
• Molecular Formula: C13H16O2
• Molecular Weight: 204.26
• Mol File: 514821-16-0.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 290.781°C at 760 mmHg
• Flash Point: 130.415°C
• Appearance: /
• Density: 0.999g/cm³
• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.509
• CAS DataBase Reference: 4-(2-METHYL-ALLYL)-BENZOIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-METHYL-ALLYL)-BENZOIC ACID ETHYL ESTER(514821-16-0)
• EPA Substance Registry System: 4-(2-METHYL-ALLYL)-BENZOIC ACID ETHYL ESTER(514821-16-0)

Safety Data

• Hazardous Substances Data: 514821-16-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H16O2/c1-4-15-13(14)12-7-5-11(6-8-12)9-10(2)3/h5-8H,2,4,9H2,1,3H3

Upstream product

• 1458-98-6 2-methyl-3-bromo-1-propene 
• 51934-41-9 4-iodobenzoic acid ethyl ester 
• 820-71-3 methallyl acetate 
• 5798-75-4 Ethyl 4-bromobenzoate 
• 107035-97-2 2,5-dimethyl-3-(1-methylethyl)-5-hexen-3-ol 
• 7335-27-5 ethyl 4-chlorobenzoate 
• 19781-53-4 2,4-dimethylpent-4-en-2-ol 
• 563-47-3 3-Chloro-2-methylpropene 
• 18292-38-1 2-methallyltrimethylsilane 

Relevant articles and documents

Photoinduced Cross-Coupling of Aryl Iodides with Alkenes

A protocol for photoinduced cross-coupling of aryl iodides having polar π-functional groups or elongated π-conjugation with alkenes has been developed. The radical cascade mechanism involving generation of aryl radicals via C-I bond homolysis of photoexcited aryl iodides and their subsequent addition to alkenes is proposed. The method enables iodide-selective cross-coupling over other halogen leaving groups with functional group compatibility on both arene and alkene motifs.

Microwave-assisted palladium-catalyzed allylation of aryl halides with homoallyl alcohols via retro-allylation

The palladium-catalyzed allylation of aryl halides with homoallyl alcohols via retro-allylation proceeds at 200-250 °C in a toluene-DMF mixed solvent using microwave heating. Even at such high temperatures, the regio- and stereospecificity of the allyl tr

Inter- and intramolecular palladium-catalyzed allyl cross-coupling reactions using allylindium generated in situ from allyl acetates, indium, and indium trichloride

Inter- and intramolecular palladium-catalyzed ally! cross-coupling reactions using allylindium generated in situ by treatment of allyl acetates with indium and indium trichloride in the presence of Pd0 catalyst and nBuNMe2 in DMF were successfully demonstrated. Allylindium species generated in situ by reductive transmetalation of π- allylpalladium(II) complexes, obtained from a variety of allyl acetales in the presence of Pd0 catalyst together with indium and indium trichloride, were found to be capable of acting as effective nucleophilic coupling partners in Pd-catalyzed cross-coupling reactions. A variety of allyl acetates such as but-l-en-3-yl acetate, crotyl acetate, and 2-methylallyl acetate afforded the corresponding allylic compounds in good yields in cross-coupling reactions. Various electrophilic cross-coupling partners such as aryl iodides and vinyl bromides and triflates participate in these reactions. Not only intermolecular but also intramolecular Pd-catalyzed cross-coupling reactions work equally well to produce the desired allylic coupling products in good yields.