110978-36-4

Basic information

• Product Name: methyl 3-(2-benzothiazolyl)-3-methylbutyrate
• Synonyms: methyl 3-(2-benzothiazolyl)-3-methylbutyrate
• CAS NO: 110978-36-4
• Molecular Weight: 249.334
• Mol File: 110978-36-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: methyl 3-(2-benzothiazolyl)-3-methylbutyrate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 3-(2-benzothiazolyl)-3-methylbutyrate(110978-36-4)
• EPA Substance Registry System: methyl 3-(2-benzothiazolyl)-3-methylbutyrate(110978-36-4)

Safety Data

• Hazardous Substances Data: 110978-36-4(Hazardous Substances Data)

Upstream product

• 111139-13-0 di-μ-acetato-bis[2-(2-benzothiazolyl)-2-methylpropyl-C(1),N]dipalladium(II) 
• 111138-77-3 di-μ-chloro-bis[2-(2-benzothiazolyl)-2-methylpropyl-C(1),N]dipalladium(II) 

Relevant articles and documents

Metallation of Aliphatic Carbon Atoms. IV. Syntheses and Characterization of the Cyclopalladated Complexes of 2-t-Butylbenzothiazole

2-t-Butylbenzothiazole reacts with palladium(II) acetate in acetic acid to produce the cyclopalladated dimer (2) (C7H4NS=2-benzothiazolyl).Complex 2 shows temperature-dependent 1H NMR spectra, which have been interpreted on the basis of the inversion motion of the acetato bridges.Metathesis of 2 with lithium chloride and sodium iodide result in the formation of the chloro- and iodo-bridged analogues, (3) and (4), respectively, each of which is found to be composed of cis and trans isomers.The 1H NMR spectra of 3 and 4 depend on temperature and are ascribed to rapid exchange between the two isomers.Equimolar amounts of 3 and 4 afford a μ-chloro-μ-iodo binuclear complex, .The reaction of 3 with thallium(I) acetylacetonate produces a mononuclear cyclopalladated complex .Complexes 2 and 3 react with CO in methanol to give MeO2CCH2CMe2-C7H4NS, the formation of which comfirms also the cyclopalladated structure of 2-t-butylbenzothiazole in 2 and 3.