65718-88-9

Basic information

• Product Name: Benzothiazole, 2-hexyl- (6CI,9CI)
• Synonyms: Benzothiazole, 2-hexyl- (6CI,9CI)
• CAS NO: 65718-88-9
• Molecular Formula: C13H17NS
• Molecular Weight: 219.34578
• Product Categories: BENZOTHIAZOLE
• Mol File: 65718-88-9.mol
• Article Data: 22

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzothiazole, 2-hexyl- (6CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 2-hexyl- (6CI,9CI)(65718-88-9)
• EPA Substance Registry System: Benzothiazole, 2-hexyl- (6CI,9CI)(65718-88-9)

Safety Data

• Hazardous Substances Data: 65718-88-9(Hazardous Substances Data)

Upstream product

• 98370-54-8 zinc 2-aminobenzenethiolate 
• 111-14-8 oenanthic acid 
• 137-07-5 2-amino-benzenethiol 
• 95-16-9 1,3-Benzothiazole 
• 592-41-6 1-hexene 
• 111-71-7 heptanal 
• 111-25-1 1-bromo-hexane 
• 609-73-4 o-nitroiodobenzene 
• 2528-61-2 Heptanoic acid chloride 
• 615-22-5 2-methylmercaptobenzothiazole 
• 638-45-9 1-Iodohexane 
• 116905-38-5 2-aminophenyl hexyl sulphide 
• 615-43-0 2-iodophenylamine 
• 4368-51-8 tetraheptylammonium bromide 

Relevant articles and documents

Method for preparing 1, 3-benzothiazole derivative through efficient catalysis of potassium tert-butoxide

The invention discloses a method for preparing 1, 3-benzothiazole derivative through efficient catalysis of potassium tert-butoxide. According to the method, a 1-phenyl-3-butyne-2-ketone compound andan o-aminothiophenol compound are taken as raw materials, potassium tert-butoxide is taken as a catalyst and tert-butyl alcohol is taken as a solvent to prepare the 1, 3-benzothiazole derivative at high efficiency and high yield. According to the method, no metal catalyst is used, the method is environmentally friendly, reaction conditions are mild, operation is easy, the 1, 3-benzothiazole derivative can be obtained only by conducting simple column chromatography separation on a product obtained after the reaction is finished, a new green and efficient way is developed for preparation of the1, 3-benzothiazole derivative, and certain application prospects are achieved.

An efficient synthesis of benzothiazole using tetrabromomethane as a halogen bond donor catalyst

An efficient and mild protocol has been developed for the synthesis of 2-substituted benzothiazole under solvent- and metal-free conditions using CBr4 as the catalyst. This process involves the activation of a thioamide through halogen bond formation between the sulphur atom of the thioamide and bromine atom of the CBr4 molecule. The presence of halogen-bonding interaction between N-methylthioamides and tetrabromomethane has been demonstrated with several control experiments, spectroscopic analysis and density functional theory (DFT). This methodology has a wide substrate scope for the synthesis of both 2-alkyl and 2-aryl substituted benzothiazoles.

Ni-Catalyzed Reductive Liebeskind-Srogl Alkylation of Heterocycles

Herein we present a Ni-catalyzed alkylation of C-SMe with alkyl bromides for the decoration of heterocyclic frameworks. The protocol, reminiscent to the Liebeskind-Srogl coupling, makes use of simple C(sp2)-SMe to be engaged in a reductive coupling. The reaction is suitable for a preponderance of highly valuable heterocyclic motifs. In addition to cyclic bromides, noncyclic alkyl bromides are well accommodated with exquisite levels of retention over isomerization. The protocol is scalable and permits orthogonal couplings in the presence of other functionalization handles.