133044-31-2

Basic information

• Product Name: 6-benzoylbenzothiazolin-2-one
• Synonyms: 6-benzoylbenzothiazolin-2-one
• CAS NO: 133044-31-2
• Molecular Formula: C₁₄H₉NO₂S
• Molecular Weight: 255.29
• Mol File: 133044-31-2.mol
• Article Data: 17

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.353g/cm³
• Refractive Index: 1.672
• CAS DataBase Reference: 6-benzoylbenzothiazolin-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-benzoylbenzothiazolin-2-one(133044-31-2)
• EPA Substance Registry System: 6-benzoylbenzothiazolin-2-one(133044-31-2)

Safety Data

• Hazardous Substances Data: 133044-31-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H9NO2S/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)

Upstream product

• 934-34-9 2(3H)-Benzothiazolone 
• 93-97-0 benzoic acid anhydride 
• 65-85-0 benzoic acid 
• 98-88-4 benzoyl chloride 
• 31428-76-9 3-benzoyl-2(3H)-benzothiazolone 

Downstream Products

• 353283-48-4 4-[2-(6-benzoyl-2(3H)-benzothiazolon-3-yl)ethoxy]benzaldehyde 
• 353280-43-0 dimethyl 2-{4-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3(2H)-yl)ethoxy]benzyl}-malonate 
• 353280-40-7 dimethyl 4-[2-(6-benzoyl-2(3H)-benzothiazolon-3-yl)ethoxy]benzylidenemalonate 
• 836596-40-8 Ethyl 2-{4-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3(2H)-yl)ethoxy]phenoxy}-2-methylpropanoate 
• 836595-56-3 Methyl 3-{4-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3(2H)-yl)ethoxy]phenyl}-2-ethoxypropanoate 
• 1244957-61-6 C₁₉H₁₈N₂O₃S 
• 1244957-62-7 C₂₅H₂₃N₃O₂S 
• 1244957-68-3 C₂₄H₂₂N₄O₂S 
• 1244957-66-1 C₂₅H₂₂ClN₃O₂S 
• 1244957-64-9 C₂₅H₂₂FN₃O₂S 
• 1244957-67-2 C₂₇H₂₇N₃O₂S 
• 1244957-63-8 C₂₅H₂₂FN₃O₂S 
• 1244957-65-0 C₂₅H₂₂ClN₃O₂S 

Relevant articles and documents

Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-(6-benzoyl-2-oxobenzo[d]oxazol-3(2H)-yl)propanoic acid

The molecular structure, vibrational frequencies and infrared intensities of the 3-(6-benzoyl-2-oxobenzo[d]oxazol-3(2H)-yl)propanoic acid were calculated by the HF and DFT methods using 6-31G(d) basis set. The FT-infrared spectra have been measured for th

Study of the acylation reaction of 2(3H)-benzothiazolones in the mixture of ZnCl2-DMF

The use of polyphosphoric acid and the complex AlCl3-DMF in 6-acylation of 2(3H)-benzothiazolones previously have been reported. Instead of the frequently used AlCl3 as a catalyst in the Friedl-Crafts reactions, we conducted the acyl

FeCl3-DMF complex as efficient catalyst for the synthesis of 6-acyl-2(3H)-benzoxazolones and 6-acyl-2(3H)-benzothiazolones

FeCl3-DMF complex has been tested on Friedel-Crafts reaction of 2(3H)-benzoxazolone and 2(3H)-benzothiazolone with acid chlorides and anhydrides as acylating agents. In these conditions, the 6-acyl-2(3H)-benzoxazolones and 6-acyl-2(3H)-benzothiazolones were obtained in yields ranging from 52 to 89%. Among the various commonly catalysts; AlCl3-DMF, ZnCl2-DMF and PPA, explored in this study, the best conditions using FeCl3-DMF were found the most convenient one

Design and synthesis of 3-acyl-2(3H)-benzoxazolone and 3-acyl-2(3H)- benzothiazolone derivatives

A simpler and efficient "green" method using solid sodium hydroxide in a solvent mixture of acetone/water was found to catalyze N-acylation of 2(3H)-benzoxazolones and 2(3H)-benzothiazolones for facile and rapid synthesis of N-acyl derivatives in excellent yields. This method was applied to the synthesis of a series of 132 compounds employing a variety of acyl chlorides. Graphical abstract: [Figure not available: see fulltext.]

Microwave synthesis and antimicrobial evaluation of Mannich bases of 6-benzoyl-2(3H)-benzothiazolone

In this study, new eight Mannich base of 6-benzoyl-2(3H)-benzothiazolone derivatives have been synthesized in microwave irradiation. Structures of the synthesized compounds have been elucidated by IR and 1H NMR spectral data and their elemental analyses. The in vitro antimicrobial activity of the compounds was determined against some gram positive, gram negative bacteria, fungi and their drug-resistant isolates in comparison with reference drugs. All the compounds were also screened for their antimycobacterial activity against Mycobacterium tuberculosis H37RV by using the microplate alamar blue assay (MABA) method.