119111-45-4

Basic information

• Product Name: Pentamethylbenzyliodid
• Synonyms: Pentamethylbenzyliodid
• CAS NO: 119111-45-4
• Molecular Weight: 288.171
• Mol File: 119111-45-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Pentamethylbenzyliodid(CAS DataBase Reference)
• NIST Chemistry Reference: Pentamethylbenzyliodid(119111-45-4)
• EPA Substance Registry System: Pentamethylbenzyliodid(119111-45-4)

Safety Data

• Hazardous Substances Data: 119111-45-4(Hazardous Substances Data)

Upstream product

• 119145-79-8 (E)-(η1-C6Me5CH2)Ta(CH=CH(CMe3))(2,6-OC6H3(i-Pr)2)2Cl 
• 484-65-1 2,3,4,5,6-pentamethylbenzyl chloride 

Relevant articles and documents

Evidence for Intramolecular C-H Bond Activation and the Formation of a "Tucked-In" Complex of Hexamethylbenzene at a Tantalum(III) Center

The reactions of the d2 tantalum complex (η6-C6Me6)Ta(OR)2Cl (1, OR=2,6-diisopropylphenoxide) with 3,3-dimethyl-1-butyne and 3-chloropropene provide the η1-pentamethylbenzyl compounds (E)-(η1-C6Me5CH2)Ta(CH=CH-(CMe3))(OR)2Cl (3) and (η1-C6Me5CH2)Ta(CH2CH2CH2Cl)(OR)2Cl (5), respectively.Both complexes are proposed to have arisen through the intermediacy of an unprecedented d0 "tucked-in" hexamethylbenzene compound, viz. (η6,η1-C6Me5CH2)Ta(H)(OR)2Cl (4).The intramolecular metalation of a methyl C-H bond in 1 and the existence of a hydride intermediate are also inferred from various deuterium labeling and kinetics studies.The metalated hexamethylbenzene can be functionalized selectively as demonstrated in the iodination of 3 to form C6(CH3)5CH2I and (E)-CHI=CH(CMe3).