854059-90-8

Basic information

• Product Name: 2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI)
• Synonyms: 2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI);5-methoxybenzo[d]thiazole-2-carbaldehyde;5-Methoxybenzothiazole-2-carboxaldehyde
• CAS NO: 854059-90-8
• Molecular Formula: C9H7NO2S
• Molecular Weight: 193.23
• Product Categories: BENZOTHIAZOLE
• Mol File: 854059-90-8.mol
• Article Data: 9

Chemical Properties

• Melting Point: 100-101 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 145-160 °C(Press: 8 Torr)
• Appearance: /
• Density: 1.361±0.06 g/cm3(Predicted)
• PKA: -0.52±0.10(Predicted)
• CAS DataBase Reference: 2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI)(854059-90-8)
• EPA Substance Registry System: 2-Benzothiazolecarboxaldehyde,5-methoxy-(5CI)(854059-90-8)

Safety Data

• Hazardous Substances Data: 854059-90-8(Hazardous Substances Data)

Upstream product

• 2941-69-7 5-methoxy-2-methylbenzo[d]thiazole 

Downstream Products

• 1204196-99-5 C₁₅H₁₇N₅OS 

Relevant articles and documents

Iodine-catalyzed oxidative annulation: Facile synthesis of pyrazolooxepinopyrazolones: Via methyl azaarene sp3C-H functionalization

An iodine-catalyzed methyl azaarene sp3 C-H functionalization has been developed for the synthesis of a seven-membered O-heterocyclic architecture containing three different heterocyclic aromatic hydrocarbons. This method can be applied to a wide range of substituted methyl azaarenes and diverse 2,4-dihydro-3H-pyrazol-3-ones, and brings about the efficient preparation of 2,9-dihydrooxepino[2,3-c:6,5-c′]dipyrazol-3(7H)-ones in high yields with the merits of low catalyst loading, good functional group tolerance and metal-free conditions.

Iodine-imine Synergistic Promoted Povarov-Type Multicomponent Reaction for the Synthesis of 2,2′-Biquinolines and Their Application to a Copper/Ligand Catalytic System

An efficient iodine-imine synergistic promoted Povarov-type multicomponent reaction was reported for the synthesis of a practical 2,2′-biquinoline scaffold. The tandem annulation has reconciled iodination, Kornblum oxidation, and Povarov aromatization, where the methyl group of the methyl azaarenes represents uniquely reactive input in the Povarov reaction. This method has broad substrate scope and mild conditions. Furthermore, these 2,2′-biquinoline derivatives had been directly used as bidentate ligands in metal-catalyzed reactions.

Iodine-catalyzed Csp3-H functionalization of methylhetarenes: One-pot synthesis and cytotoxic evaluation of heteroarenyl-benzimidazoles and benzothiazole

An efficient one-pot synthetic procedure has been developed for the preparation of heteroarenyl-benzimidazoles via oxidative Csp3-H functionalization with o-phenylenediamine using I2-DMSO in open air from easily available starting materials. Based on a logical plan a spectrum of multi fundamental reactions like iodination, Kornblum oxidation and amination were brought into one-pot. By using this simple method a library of heteroarenyl-benzimidazoles derivatives (3a–t and 5a–g) and heteroarenyl-benzothiazole (3u) have been synthesized in good to excellent yield and screened for their cytotoxicity against a group of four human cancer cell lines. Among them 3h, 3q and 5b showed significant cytotoxic activities with an IC50 of 1.69, 1.62 and 2.81 μM respectively against lung cancer (A549) cell line.[Figure presented]