54584-09-7

Basic information

• Product Name: Benzothiazole, 2-(1H-pyrrol-2-yl)- (9CI)
• Synonyms: Benzothiazole, 2-(1H-pyrrol-2-yl)- (9CI)
• CAS NO: 54584-09-7
• Molecular Formula: C11H8N2S
• Molecular Weight: 200.25962
• Product Categories: BENZOTHIAZOLE
• Mol File: 54584-09-7.mol
• Article Data: 18

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzothiazole, 2-(1H-pyrrol-2-yl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzothiazole, 2-(1H-pyrrol-2-yl)- (9CI)(54584-09-7)
• EPA Substance Registry System: Benzothiazole, 2-(1H-pyrrol-2-yl)- (9CI)(54584-09-7)

Safety Data

• Hazardous Substances Data: 54584-09-7(Hazardous Substances Data)

Upstream product

• 109-97-7 pyrrole 
• 2516-40-7 2-bromo-1,3-benzothiazole 
• 95-16-9 1,3-Benzothiazole 
• 72607-07-9 2-(2-nitrovinyl)pyrrole 
• 2433-66-1 2-ethenyl-1H-pyrrole 
• 15111-14-5 2-iodo-N-(phenylmethylene)-benzenamine 
• 1003-29-8 2-pyrrole aldehyde 
• 615-43-0 2-iodophenylamine 
• 31230-94-1 2-pyrrolylbenzothiazoline 
• 4513-94-4 1H-pyrrole-2-carbonitrile 
• 137-07-5 2-amino-benzenethiol 
• 634-97-9 pyrrole-2-carboxyl acid 
• 37488-43-0 N-ethoxycarbonylpyrrole-2-thiocarboxamide 

Downstream Products

• 1233319-02-2 1,9-bis(2-benzothiazolyl)-5-phenyl-5,10-dihydrodipyrrin 
• 1233319-03-3 1,9-bis(2-benzothiazolyl)-5-(4-methoxyphenyl)-5,10-dihydrodipyrrin 

Relevant articles and documents

2-(2-Pyrrolyl)-1,3-benzothiazole

The title compound, C11H8N2S, already known from the literature, was prepared and studied by X-ray diffraction. The five-membered heterocyclic ring is coplanar with its fused benzene ring. However, the molecule itself is non-planar, with the dihedral angle between the planes of the 2-benzothiazolyl and pyrrolyl groups being 17.3 (7)°. The molecules related by the twofold rotation axis are connected in pairs by N - H...N hydrogen bonds of 3.032 (9) A.

Benzothiazole Synthesis: Mechanistic Investigation of an in Situ-Generated Photosensitizing Disulfide

The use of a visible light absorbing intermediate as a photosensitizer makes a chemical process simple and sustainable, obviating the need for the use of chemical additives. Herein, the formation of a photosensitizing disulfide in benzothiazole synthesis from 2-Aminothiophenol and aldehydes was proposed and confirmed through in-depth mechanistic studies. A series of photophysical and electrochemical investigations revealed that an in situ-generated disulfide photosensitizes molecular oxygen to generate the key oxidants, singlet oxygen and superoxide anion, for the dehydrogenation step.

A novel ternary GO@SiO2-HPW nanocomposite as an efficient heterogeneous catalyst for the synthesis of benzazoles in aqueous media

A new solid acid catalyst, consisting of 12-phosphotungstic heteropoly acid (HPW) supported on graphene oxide/silica nanocomposite (GO@SiO2), has been developed via immobilizing HPW onto an amine-functionalized GO/SiO2 surface through coordination interaction (GO@SiO2-HPW). The GO@SiO2-HPW nanocomposite was characterized by Fourier transform infrared (FT-IR) spectroscopy, thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and powder X-ray diffraction (XRD). The prepared nanocomposite could be dispersed homogeneously in water and further used as a heterogeneous, reusable, and efficient catalyst for the synthesis of benzimidazoles and benzothiazoles by the reaction of 1,2-phenelynediamine or 2-aminothiophenol with different aldehydes.