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6-benzoylbenzothiazolin-2-one is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 133044-31-2 Structure
  • Basic information

    1. Product Name: 6-benzoylbenzothiazolin-2-one
    2. Synonyms: 6-benzoylbenzothiazolin-2-one
    3. CAS NO:133044-31-2
    4. Molecular Formula: C14H9NO2S
    5. Molecular Weight: 255.29
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 133044-31-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: °Cat760mmHg
    3. Flash Point: °C
    4. Appearance: /
    5. Density: 1.353g/cm3
    6. Refractive Index: 1.672
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 6-benzoylbenzothiazolin-2-one(CAS DataBase Reference)
    10. NIST Chemistry Reference: 6-benzoylbenzothiazolin-2-one(133044-31-2)
    11. EPA Substance Registry System: 6-benzoylbenzothiazolin-2-one(133044-31-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 133044-31-2(Hazardous Substances Data)

133044-31-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 133044-31-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,3,0,4 and 4 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 133044-31:
(8*1)+(7*3)+(6*3)+(5*0)+(4*4)+(3*4)+(2*3)+(1*1)=82
82 % 10 = 2
So 133044-31-2 is a valid CAS Registry Number.
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)

133044-31-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-benzoyl-3H-1,3-benzothiazol-2-one

1.2 Other means of identification

Product number -
Other names 2(3H)-Benzothiazolone,6-benzoyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:133044-31-2 SDS

133044-31-2Relevant 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

Arslan, Hakan,Alguel, Oeztekin,Oenkol, Tijen

, p. 606 - 614 (2008)

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

Benzazoles. 1. Acylation of benzothiazolin-2-ones by aromatic acid chlorides using small amounts of zinc chloride

Mukhamedov,Dushamov,Aliev,Bobokulov,Levkovich,Abdullaev

, p. 344 - 348 (2002)

We show that the yield of 6-aroylbenzothiazolin-2-ones, products of acylation of benzothiazolin-2-ones by aromatic acid chlorides in the presence of ZnCl2, depends on the degree of nucleophilicity of benzothiazolin-2-ones.

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

Guenadil, Faouzi,Aichaoui, Houcine

, p. 2633 - 2638 (2002)

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

Benzoylation of 2(3H)-benzothiazolones in the presence of 8 equivalents of zinc chloride in N,N-dimethylformamide

Guenadil, Faouzi,Aichaoui, Houcine,Liacha, Messaoud

, p. 755 - 757 (2002)

The use of the mixture of aluminum chloride-N,N-dimethylformamide1,2 (AlCl3-DMF, 11:1) reagent in the Friedl-Crafts C acylation reaction of 2(3H)-benzothiazolones was previously reported3. These acylations reactions were f

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

Guenadil, Faouzi

, p. 579 - 585 (2019)

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

Benzazoles. 2. Relative activity of catalysts and 4-substituted benzoyl chlorides in the acylation of benzothiazolin-2-ones

Dushamov,Mukhamedov,Aliev,Bobokulov,Levkovich,Abdullaev

, p. 438 - 441 (2002)

A series has been established for the relative activity of catalysts and 4-substituted benzoyl chlorides on acylation of benzothiazolin-2-ones with 4-substituted benzoyl chlorides in the presence of FeCl3, FeCl3·6H2O, FeCl3·12H2O, ZnCl2, ZnCl2·2H2O, AlCl3, and iron acetylacetonate, as a function of the degree of acidity of the catalyst and the electrophilicity of the acylating agent.

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

Guenadil, Faouzi,Aichaoui, Hocine,Kapanda, Coco N.,Lambert, Didier M.,McCurdy, Christopher R.,Poupaert, Jacques H.

experimental part, p. 67 - 80 (2011/09/20)

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.]

Amide derivatives of [6-acyl-2-benzothiazolinon-3-yl] acetic acids as potential analgesic and anti-inflammatory compounds

Oenkol, Tijen,Banoglu, Erden,Duendar, Yasemin,Kuepeli, Esra,Sahin, M. Fethi

scheme or table, p. 11 - 24 (2010/10/20)

In this study, we investigated the analgesic and anti-inflammatory activities of [6-acyl-2-benzothiazolinon-3-yl]acetic acids by the derivatization of the carboxylate moiety into amides. We have tested the analgesic and anti-inflammatory activities of the synthesized compounds in vivo by using p-benzoquinone-induced writhing test and carrageenan-induced hind paw edema model, respectively. Compounds 4h, 4i, 4n, and 4o showed comparable analgesic and anti-inflammatory activities to the references without gastric lesions in the tested animals. In addition, all compounds also tested for their inhibitory activity against cyclooxygenase (COX)-1, COX-2 and 5-lipoxygenase (LOX), but no significant inhibition was observed under assayed conditions.

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

Ciba, Melda,Kaynak, Fatma,Ozgen, Selda,Sahin, M. Fethi,Onkol, Tijen

experimental part, p. 5685 - 5693 (2012/07/28)

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.

Aromatase inhibitor compounds and uses thereof

-

Page/Page column 4, (2010/11/26)

The invention concerns the use of a compound of formula (I) inhibitor of aromatase for the preparation of a pharmaceutical formulation intended for treatment of cancer or psoriasis. It equally relates to compounds of formula (I), notably for their use as active ingredients of a medication.

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