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THIOXANTHENE is a thioxanthene derivative characterized by a xanthene skeleton in which the oxygen atom is replaced by a sulfur atom. This structural modification imparts unique chemical and physical properties to the molecule, making it suitable for various applications across different industries.

261-31-4

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261-31-4 Usage

Uses

Used in Pharmaceutical Industry:
THIOXANTHENE is used as an active pharmaceutical ingredient for its potential therapeutic effects. The sulfur atom replacement in the xanthene skeleton may provide distinct pharmacological properties, making it a valuable compound for the development of new drugs.
Used in Chemical Research:
In the field of chemical research, THIOXANTHENE serves as a key intermediate or building block for the synthesis of more complex molecules. Its unique structure allows for further functionalization and modification, leading to the creation of novel compounds with specific applications.
Used in Dye and Pigment Industry:
THIOXANTHENE, due to its chemical structure, can be utilized as a colorant in the dye and pigment industry. Its ability to absorb and reflect light in specific regions of the spectrum makes it a potential candidate for the development of new dyes and pigments with unique color properties.
Used in Material Science:
The unique structural features of THIOXANTHENE make it a candidate for use in material science, particularly in the development of new materials with specific optical, electronic, or mechanical properties. Its sulfur-containing structure may contribute to the enhancement of certain material characteristics, such as conductivity or stability.

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 32, p. 687, 1995 DOI: 10.1002/jhet.5570320252Synthesis, p. 262, 1976 DOI: 10.1055/s-1976-24011

Check Digit Verification of cas no

The CAS Registry Mumber 261-31-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 2,6 and 1 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 261-31:
(5*2)+(4*6)+(3*1)+(2*3)+(1*1)=44
44 % 10 = 4
So 261-31-4 is a valid CAS Registry Number.
InChI:InChI=1/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2

261-31-4 Well-known Company Product Price

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  • Sigma-Aldrich

  • (T1305100)  Thioxanthene  European Pharmacopoeia (EP) Reference Standard

  • 261-31-4

  • T1305100

  • 1,880.19CNY

  • Detail

261-31-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 9H-thioxanthene

1.2 Other means of identification

Product number -
Other names Thioxanthine

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:261-31-4 SDS

261-31-4Relevant academic research and scientific papers

Synthesis of oxidized thioxanthene-type base amplifiers and their application to photoreactive materials

Arimitsu, Koji,Kitamura, Hiroshi,Mizuochi, Ryuta,Furutani, Masahiro

, p. 309 - 311 (2015)

We propose base amplifiers (BAs) that are autocatalytically decomposed into base molecules by a small amount of trigger base molecules from photobase generators. We report here novel BAs having oxidized thioxanthene skeletons. It is confirmed that they are decomposed autocatalytically in solution or polymer matrix. They are applied to UV curing systems to improve their photosensitivity.

Generation and direct observation of the thioxanthenyl and N-methyl acridinyl anions; A family of stable, paratropic, "4N" π-excessives

Anastassiou,Kasmai,Saadein

, p. 3743 - 3746 (1980)

The title, thermally stable, heterocarbanions (2a, 2b) were generated upon respective exposure of conjugate acids 4(a,b) to a KNH2/liq. NH3 system and were shown (NMR) to possess (2a more than 2b) distinct elements of paratropicity.

High-Fidelity Dimerization of Xanthenyl Radicals and Dynamic Qualities of a Congested Ethane: Diethyl Dixanthenyl-9,9′-Dicarboxylate

Dubrawski, Zachary,Gelfand, Benjamin S.,Hogan, David T.,Sutherland, Todd C.

supporting information, (2021/12/23)

Exploration of the sterically-congested ethane diethyl dixanthenyl-9,9′-dicarboxylate has revealed the dynamic behavior arising from its congested C?C bond. Interlocking ‘geared’ substituents and favorable dispersion interactions around this bond result in a conformational preference for partially cofacial xanthene moieties both in solid state and as dilute solutions. The weak, centrally located C?C bond is 1.628 ? long and permits selective thermolysis to yield two carbon-centered ethyl xanthenyl-9-carboxylate radicals, which dimerize with high fidelity into the original sterically-congested ethane. Recombination of the radicals into this symmetrical head-to-head dimer is highly reproducible – by observing the equilibrium, the bond dissociation enthalpy was calculated to be 20.4 kcal ? mol?1. The substituents around the central carbon provide insufficient stabilization against oxygen, which consumes the radicals and unbalances the dimer-radical equilibrium.

Method for reducing carbonyl reduction to methylene under illumination

-

Paragraph 0033-0038; 0140-0144, (2021/09/29)

The invention belongs to the technical field of organic chemical synthesis. The method comprises the following steps: (1) mixing the carbonyl compound and the amine compound in a solvent, reacting 3 - 6 under the illumination of 380 - 456 nm, the reaction system is low in toxicity, high in atom utilization rate 12 - 24h. and production efficiency, safe and controllable in reaction process and capable of simplifying the operation in the preparation and production process. At the same time, the residue toxicity of the reaction is minimized, the pollution caused by the production process to the environment is reduced, and the steps and operations of removing residues after the reaction are simplified. In addition, the reactant feedstock is readily available. The reactant does not need additional modification before the reaction, can be directly used for preparing production, simplifies the operation steps, and shortens the reaction route. The production cost is obviously reduced.

Formation and Disproportionation of Xanthenols to Xanthenes and Xanthones and Their Use in Synthesis

Shi, Zeyu,Chen, Si,Xiao, Qiong,Yin, Dali

, p. 3334 - 3343 (2021/02/05)

A facile and versatile strategy employing TiCl4-mediated cyclization followed by a Cannizzaro reaction has been developed for the synthesis of various xanthene derivatives. The reaction proceeded smoothly to afford both xanthenes/xanthones or their sulfur derivatives and tolerated a wide range of electronically diverse substrates. Using this methodology, pranoprofen was synthesized in three steps in 59% overall yield from commercially available starting materials.

Access to Cyanoimines Enabled by Dual Photoredox/Copper-Catalyzed Cyanation of O-Acyl Oximes

Wei, Ziyan,Yu, Shouyun,Zhang, Ai Hua,Zhang, Hao

supporting information, p. 7315 - 7320 (2020/10/02)

An efficient strategy for the synthesis of pharmaceutically important and synthetically useful cyanoimines, as well as cyanamides, has been described. This strategy is enabled by dual photoredox/copper-catalyzed cyanation of O-acyl oximes or O-acyl hydroxamides. This state of the art protocol for cyanoimines and cyanamides features readily available starting materials, mild reaction conditions, good functional group tolerance, and operational simplicity. The resultant cyanoimines can be transformed into structurally diverse and functionally important N-containing heterocycles.

Uncatalyzed Oxidative C?H Amination of 9,10-Dihydro-9-Heteroanthracenes: A Mechanistic Study

van Leest, Nicolaas P.,Grooten, Lars,van der Vlugt, Jarl Ivar,de Bruin, Bas

supporting information, p. 5987 - 5993 (2019/04/03)

A new method for the one-step C?H amination of xanthene and thioxanthene with sulfonamides is reported, without the need for any metal catalyst. A benzoquinone was employed as a hydride (or two-electron and one-proton) acceptor. Moreover, a previously unknown and uncatalyzed reaction between iminoiodanes and xanthene, thioxanthene and dihydroacridines (9,10-dihydro-9-heteroanthracenes or dihydroheteroanthracenes) is disclosed. The reactions proceed through hydride transfer from the heteroarene substrate to the iminoiodane or benzoquinone, followed by conjugate addition of the sulfonamide to the oxidized heteroaromatic compounds. These findings may have important mechanistic implications for metal-catalyzed C?H amination processes involving nitrene transfer from iminoiodanes to dihydroheteroanthracenes. Due to the weak C?H bond, xanthene is an often-employed substrate in mechanistic studies of C?H amination reactions, which are generally proposed to proceed via metal-catalyzed nitrene insertion, especially for reactions involving nitrene or imido complexes that are less reactive (i.e., less strongly oxidizing). However, these substrates clearly undergo non-catalyzed (proton-coupled) redox coupling with amines, thus providing alternative pathways to the widely assumed metal-catalyzed pathways.

Visible-light induced enhancement in the multi-catalytic activity of sulfated carbon dots for aerobic carbon-carbon bond formation

Sarma, Daisy,Majumdar, Biju,Sarma, Tridib K.

supporting information, p. 6717 - 6726 (2019/12/26)

The development of carbonaceous materials as metal-free catalysts integrating different types of catalysis in a single system represents a significant advance in cascade/tandem organic synthesis. Zero-dimensional carbon dots with tuneable optical properties and easily modifiable surface functionalities can be harnessed as a carbocatalyst for merging photooxidation and acid-catalyzed reactions in one pot. Herein, we explore carbon dots decorated with hydrogen sulfate groups as a photocatalyst for the dehydrogenative cross-coupling of xanthenes with ketones, arenes and 1,3-dicarbonyl compounds that showed high efficiency and selectivity under visible-light irradiation. The sulphated carbon dots demonstrate dual catalytic properties, wherein they induced the rapid photooxidation of xanthenes in the presence of molecular oxygen to form a hydroperoxy intermediate followed by coupling of nucleophiles catalysed by the acidic surface functional groups. The methodology represents an operationally simple pathway for the generation of C-C coupling products in a short reaction time with wide substrate scopes under mild conditions. The catalyst is easily separable and can be reused over multiple cycles with good efficiency.

Electrochemical Hydrogenation with Gaseous Ammonia

Li, Jin,He, Lingfeng,Liu, Xu,Cheng, Xu,Li, Guigen

supporting information, p. 1759 - 1763 (2019/01/16)

As a carbon-free and sustainable fuel, ammonia serves as high-energy-density hydrogen-storage material. It is important to develop new reactions able to utilize ammonia as a hydrogen source directly. Herein, we report an electrochemical hydrogenation of alkenes, alkynes, and ketones using ammonia as the hydrogen source and carbon electrodes. A variety of heterocycles and functional groups, including for example sulfide, benzyl, benzyl carbamate, and allyl carbamate were well tolerated. Fast stepwise electron transfer and proton transfer processes were proposed to account for the transformation.

Cu(ii)-catalyzed sulfide construction: both aryl groups utilization of intermolecular and intramolecular diaryliodonium salt

Wang, Ming,Wei, Jianpeng,Fan, Qiaoling,Jiang, Xuefeng

supporting information, p. 2918 - 2921 (2017/03/15)

A sulfur-iodine exchange protocol of diaryliodonium salts with inorganic sulfur salt was developed. Both aryl groups in the diaryliodonium salt were fully exerted in this transformation. Five- to eight-membered sulfur-containing heterocycles were achieved. Note that [1]benzothieno-[3,2-b][1]benzothiophene (BTBT) (an organic field-effect transistor (OFET) material) and Zaltoprofen were efficiently established through this method.

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