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(6Z)-6-(1,3-benzothiazol-2(3H)-ylidene)-4-nitrocyclohexa-2,4-dien-1-one is a yellow, crystalline solid with the molecular formula C15H9N3O3S and a molecular weight of 319.32 g/mol. It belongs to the class of organic nitro compounds and contains a nitro group, a benzothiazole ring, and a cyclohexadienone moiety. This unique structural composition makes it a promising building block in organic synthesis and a potential candidate for applications in medicinal chemistry and material science.

6276-77-3

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6276-77-3 Usage

Uses

Used in Organic Synthesis:
(6Z)-6-(1,3-benzothiazol-2(3H)-ylidene)-4-nitrocyclohexa-2,4-dien-1-one is used as a building block in organic synthesis for the creation of various complex organic molecules. Its unique structural features and reactivity make it an attractive target for the development of new synthetic routes and methodologies.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, (6Z)-6-(1,3-benzothiazol-2(3H)-ylidene)-4-nitrocyclohexa-2,4-dien-1-one may be utilized as a starting material or intermediate for the synthesis of bioactive compounds. Its structural components, such as the nitro group and benzothiazole ring, can be further modified to explore its potential as a therapeutic agent.
Used in Material Science:
(6Z)-6-(1,3-benzothiazol-2(3H)-ylidene)-4-nitrocyclohexa-2,4-dien-1-one may also find applications in material science, where its unique structural features can be exploited to develop new materials with specific properties. Its potential use in the development of advanced materials, such as polymers, coatings, or sensors, can be further investigated.
Used in Chemical and Biological Processes:
Due to its properties and reactivity, (6Z)-6-(1,3-benzothiazol-2(3H)-ylidene)-4-nitrocyclohexa-2,4-dien-1-one is an attractive target for further investigation and potential use in various chemical and biological processes. Its involvement in these processes can lead to the discovery of new applications and advancements in the respective fields.

Check Digit Verification of cas no

The CAS Registry Mumber 6276-77-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,2,7 and 6 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 6276-77:
(6*6)+(5*2)+(4*7)+(3*6)+(2*7)+(1*7)=113
113 % 10 = 3
So 6276-77-3 is a valid CAS Registry Number.

6276-77-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-(3H-1,3-benzothiazol-2-ylidene)-4-nitrocyclohexa-2,4-dien-1-one

1.2 Other means of identification

Product number -
Other names 2-benzothiazol-2-yl-4-nitro-phenol

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:6276-77-3 SDS

6276-77-3Relevant academic research and scientific papers

Intriguing photophysical aspects of nitro substituted 2-(2′-hydroxyphenyl)benzothiazole (HBT) derivative: AIE in non-polar media?

Bhattacharyya, Arghyadeep,Guchhait, Nikhil

, (2021)

Excited photophysics of a synthesized molecule namely 2-(benzo[d]thiazol-2-yl)-5-nitrophenol (BTNP) have been studied using steady state and time resolved techniques. BTNP exhibits ESIPT exclusively in non-polar media with exceptional Stokes’ shift. In po

AIE-based fluorescent boronate probe and its application in peroxynitrite imaging

Dong, Chuan,Han, Hui,Li, Minglu,Shuang, Shaomin,Song, Shengmei

, (2021/06/21)

Fluorescent probes have contributed greatly to our understanding of the biological role of peroxynitrite (ONOO–). The ONOO– fluorescence probe characterized by the arlyboronate received a moderate opening fluorescence response, and t

New Boron(III) Blue Emitters for All-Solution Processed OLEDs: Molecular Design Assisted by Theoretical Modeling

Salla, Cristian A. M.,Teixeira dos Santos, Jéssica,Farias, Giliandro,Bortoluzi, Adailton J.,Curcio, Sergio F.,Cazati, Thiago,Izsák, Róbert,Neese, Frank,de Souza, Bernardo,Bechtold, Ivan H.

supporting information, p. 2247 - 2257 (2019/04/08)

Luminescent boron(III) complexes have recently been employed as emitters in organic light-emitting diodes (OLEDs) with reasonable success. They are easy to prepare and sufficiently stable to be used in such devices, being of great interest as a simple mol

Highly efficient AgNO3-catalyzed approach to 2-(benzo[d]azol-2-yl)phenols from salicylaldehydes with 2-aminothiophenol, 2-aminophenol and benzene-1,2-diamine

He, Xinwei,Wu, Yuhao,Jin, Wenjing,Wang, Xiaoshun,Wu, Cong,Shang, Yongjia

, (2018/02/13)

A new, convenient and efficient AgNO3-catalyzed strategy for the preparation of 2-(benzo[d]azol-2-yl)phenol derivatives in good to excellent yields (63–98%) is described. The reaction proceeds via condensation/intramolecular nucleophilic addition/oxidation process between substituted salicylaldehydes and 2-aminothiophenol, 2-aminophenol or benzene-1,2-diamine under mild reaction conditions. Notably, this reaction utilizes cheap AgNO3 as a readily available and low-cost benign oxidant at low catalyst loadings with excellent functional group tolerance.

Synthesis and diverse general oxidative cyclization catalysis of high-valent MoVIO2(HL) to ubiquitous heterocycles and their chiral analogues with high selectivity

Pramanik, Nabyendu,Sarkar, Satinath,Roy, Dipanwita,Debnath, Sudipto,Ghosh, Sukla,Khamarui, Saikat,Maiti, Dilip K.

, p. 101959 - 101964 (2015/12/08)

The first synthesis and diverse oxidative cyclization catalysis properties of high-valent MoVI-triazole are demonstrated towards highly selective construction of benzimidazoles, benzothiazoles, isoxazolines, isoxazoles and their chiral analogue

Palladium catalyzed Csp2-H activation for direct aryl hydroxylation: The unprecedented role of 1,4-dioxane as a source of hydroxyl radicals

Seth, Kapileswar,Nautiyal, Manesh,Purohit, Priyank,Parikh, Naisargee,Chakraborti, Asit K.

, p. 191 - 194 (2015/01/09)

A novel strategy for direct aryl hydroxylation via Pd-catalysed Csp2-H activation through an unprecedented hydroxyl radical transfer from 1,4-dioxane, used as a solvent, is reported with bio relevant and sterically hindered heterocycles and various acyclic functionalities as versatile directing groups.

Regioselective ortho-hydroxylation of 2-arylbenzothiazole via substrate directed C-H activation

Banerjee, Arghya,Bera, Anupam,Guin, Srimanta,Rout, Saroj Kumar,Patel, Bhisma K.

, p. 2175 - 2183 (2013/03/14)

An efficient protocol has been developed for the direct ortho-hydroxylation of 2-arylbenzothiazole using Pd(OAc)2 as the catalyst and either of DIB/AcOH or Oxone/TFA combinations under air atmosphere. Under both these conditions, the methodology tolerates a diverse array of substituents giving good to excellent yields of corresponding ortho-hydroxylated products. Regioselective hydroxylation is observed at the less sterically hindered site of the phenyl ring possessing substituents at its meta position.

A robust one-pot synthesis of benzothiazoles from carboxylic acids including examples with hydroxyl and amino substituents

Meghdadi, Soraia,Amirnasr, Mehdi,Ford, Peter C.

supporting information, p. 6950 - 6953 (2013/01/15)

The cyclocondensation of 2-aminothiophenol and carboxylic acids to give benzothiazoles has been carried out under mild conditions using tetrabutylammonium bromide (TBAB) as the reaction medium and triphenyl phosphite as the catalyst. Shorter reaction times, rapid isolation of the products, and excellent yields are advantages of this method. The reaction is found to be general and quite tolerant to the nature of the substituted carboxylic acids.

BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS THEREFOR

-

Page/Page column 9, (2008/06/13)

A compound of Formula (I): wherein R1 is selected from the group consisting of an aliphatic functionality having 2 to 12 carbons, an aromatic functionality having 3 to 20 carbons, and a cycloaliphatic functionality having 3 to 20 carbons; with

Solid-state Fluorescent Photophysics of Some 2-Substituted Benzothiazoles

Anthony, Kevin,Brown, Robert G.,Hepworth, John D.,Hodgson, Kevin W.,May, Bernadette,West, Michael A.

, p. 2111 - 2118 (2007/10/02)

The solid-state fluorescence properties of a series of benzothiazoles with phenyl, napthalene, and coumarin moieties substituted at the 2-position have been investigated.The necessity for a 2'-OH substituent for fluorescence has been confirmed and the effects of further substitution in the 2-phenyl ring are reported.

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