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Caswell No. 081, also known as 2-mercaptobenzothiazole, is a chemical compound with the formula C7H5NS2. It is a colorless to pale yellow crystalline solid that is widely used as a vulcanization accelerator in the rubber industry, particularly for natural rubber and polychloroprene. It enhances the elasticity and durability of rubber products, making them more resistant to wear and tear. Additionally, it is employed as a corrosion inhibitor in various industrial applications, such as in the oil and gas industry, to protect metal surfaces from corrosion. Due to its potential health and environmental concerns, it is important to handle and dispose of Caswell No. 081 with proper safety measures.

8013-63-6

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8013-63-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 8013-63-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 8,0,1 and 3 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 8013-63:
(6*8)+(5*0)+(4*1)+(3*3)+(2*6)+(1*3)=76
76 % 10 = 6
So 8013-63-6 is a valid CAS Registry Number.

8013-63-6Relevant academic research and scientific papers

Autoassembly of cage structures 9. Complete autoassembly of dilactones of α,α'-dihydroxy-α,α'-dialkoxycarbonyladipic and -pimelic acids

Kostyanovsky, R. G.,El'natanov, Yu. I.,Krutius, O. N.,Voznesensky, V. N.

, p. 318 - 321 (1995)

Complete autoassembly of dilactones 4-6 from dihydroxytetraesters of the type X2YC(CH2)nCYX2 (X = CO2R, Y=OH, n = 2,3) was performed in high yields under the conditions of acid or base catalysis.The classic syntheses of the Troeger's base, Meerwein ester, and dilactams were considered from the viewpoint of bicycle autoassembly. - Key words: α,ω-alkylene-bis-tartronates; autoassembly of dilactones of α,α'-dihydroxy-α,α'-dialkoxycarbonyladipic and -pimelic acids; acidic and base catalysis; NMR, IR, and mass spectra.

HCl-Catalyzed Aerobic Oxidation of Alkylarenes to Carbonyls

Niu, Kaikai,Shi, Xiaodi,Ding, Ling,Liu, Yuxiu,Song, Hongjian,Wang, Qingmin

, (2021/12/13)

The construction of C?O bonds through C?H bond functionalization remains fundamentally challenging. Here, a practical chlorine radical-mediated aerobic oxidation of alkylarenes to carbonyls was developed. This protocol employed commercially available HCl as a hydrogen atom transfer (HAT) reagent and air as a sustainable oxidant. In addition, this process exhibited excellent functional group tolerance and a broad substrate scope without the requirement for external metal and oxidants. The mechanistic hypothesis was supported by radical trapping, 18O labeling, and control experiments.

Stepwise benzylic oxygenation via uranyl-photocatalysis

Hu, Deqing,Jiang, Xuefeng

supporting information, p. 124 - 129 (2022/01/19)

Stepwise oxygenation at the benzylic position (1°, 2°, 3°) of aromatic molecules was comprehensively established under ambient conditions via uranyl photocatalysis to produce carboxylic acids, ketones, and alcohols, respectively. The accuracy of the stepwise oxygenation was ensured by the tunability of catalytic activity in uranyl photocatalysis, which was adjusted by solvents and additives demonstrated through Stern–Volmer analysis. Hydrogen atom transfer between the benzylic position and the uranyl catalyst facilitated oxygenation, further confirmed by kinetic studies. Considerably improved efficiency of flow operation demonstrated the potential for industrial synthetic application.

Functionalized-1,3,4-oxadiazole ligands for the ruthenium-catalyzed Lemieux-Johnson type oxidation of olefins and alkynes in water

Hkiri, Shaima,Touil, Soufiane,Samarat, Ali,Sémeril, David

, (2021/11/30)

Three arene-ruthenium(II) complexes bearing alkyloxy(5-phenyl-1,3,4-oxadiazol-2-ylamino)(4-trifluoromethylphenyl)methyl ligands were quantitatively obtained through the reaction of (E)-1-(4-trifluoromethylphenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-methanimine with the ruthenium precursor [RuCl2(η6-p-cymene)]2 in a mixture of the corresponding alcohol and CH2Cl2 at 50 °C. The obtained complexes were fully characterized by elemental analysis, infrared, NMR and mass spectrometry. Solid-state structures confirmed the coordination of the 1,3,4-oxadiazole moiety to the ruthenium center via their electronically enriched nitrogen atom at position 3 in the aromatic ring. These complexes were evaluated as precatalysts in the Lemieux-Johnson type oxidative cleavage of olefins and alkynes in water at room temperature with NaIO4 as oxidizing agent. Good to full conversions of olefins into the corresponding aldehydes were measured, but low catalytic activity was observed in the case of alkynes. In order to get more insight into the mechanism, three analogue arene-ruthenium complexes were synthesized and tested in the oxidative cleavage of styrene. The latter tests clearly demonstrated the importance of the hemilabile alkyloxy groups, which may form more stable (N,O)-chelate intermediates and increase the efficiency of the cis-dioxo-ruthenium(VI) catalyst.

Selective catalytic synthesis of bio-based high value chemical of benzoic acid from xylan with Co2MnO4@MCM-41 catalyst

Fan, Minghui,He, Yuting,Li, Quanxin,Luo, Yuehui,Yang, Mingyu,Zhang, Yanhua,Zhu, Lijuan

, (2021/12/20)

The efficient synthesis of bio-based chemicals using renewable carbon resources is of great significance to promote sustainable chemistry and develop green economy. This work aims to demonstrate that benzoic acid, an important high added value chemical in petrochemical industry, can be selectively synthesized using xylan (a typical model compound of hemicellulose). This novel controllable transformation process was achieved by selective catalytic pyrolysis of xylan and subsequent catalytic oxidation. The highest benzoic acid selectivity of 88.3 % with 90.5 % conversion was obtained using the 10wt%Co2MnO4@MCM-41 catalyst under the optimized reaction conditions (80 °C, 4 h). Based on the study of the model compounds and catalyst's characterizations, the reaction pathways for the catalytic transformation of xylan to bio-based benzoic acid were proposed.

Gram-scale synthesis of carboxylic acids via catalytic acceptorless dehydrogenative coupling of alcohols and hydroxides at an ultralow Ru loading

Chen, Cheng,Cheng, Hua,Verpoort, Francis,Wang, Zhi-Qin,Wu, Zhe,Yuan, Ye,Zheng, Zhong-Hui

, (2021/12/13)

Acceptorless dehydrogenative coupling (ADC) of alcohols and water/hydroxides is an emergent and graceful approach to produce carboxylic acids. Therefore, it is of high demand to develop active and practical catalysts/catalytic systems for this attractive transformation. Herein, we designed and fabricated a series of cyclometallated N-heterocyclic carbene-Ru (NHC-Ru) complexes via ligand tuning of [Ru-1], the superior complex in our previous work. Gratifyingly, gram-scale synthesis of carboxylic acids was efficiently enabled at an ultralow Ru loading (62.5 ppm) in open air. Moreover, effects of distinct ancillary NHC ligands and other parameters on this catalytic process were thoroughly studied, while further systematic studies were carried out to provide rationales for the activity trend of [Ru-1]-[Ru-7]. Finally, determination of quantitative green metrics illustrated that the present work exhibited superiority over representative literature reports. Hopefully, this study could provide valuable input for researchers who are engaging in metal-catalyzed ADC reactions.

Photocatalytic removal of benzene over Ti3C2T: XMXene and TiO2-MXene composite materials under solar and NIR irradiation

Calvino, José J.,Constantinescu, Gabriel,Frade, Jorge R.,Kovalevsky, Andrei V.,Labrincha, Jo?o A.,Lajaunie, Luc,Lopes, Daniela V.,Sergiienko, Sergii A.,Shaula, Aliaksandr L.,Shcherban, Nataliya D.,Shkepu, Viacheslav I.,Tobaldi, David M.

, p. 626 - 639 (2022/01/22)

MXenes, a family of two-dimensional (2D) transition metal carbides, nitrides and carbonitrides based on earth-abundant constituents, are prospective candidates for energy conversion applications, including photocatalysis. While the activity of individual MXenes towards various photocatalytic processes is still debatable, these materials were proved to be excellent co-catalysts, accelerating the charge separation and suppressing the exciton recombination. Titanium-containing MXenes are well compatible with the classical TiO2 photocatalyst. The TiO2 component can be directly grown on MXene sheets by in situ oxidation, representing a mainstream processing approach for such composites. In this study, an essentially different approach has been implemented: a series of TiO2-MXene composite materials with controlled composition and both reference end members were prepared, involving two different strategies for mixing sol-gel-derived TiO2 nanopowder with the Ti3C2Tx component, which was obtained by HF etching of self-propagating high-temperature synthesis products containing modified MAX phase Ti3C2Alz (z > 1) with nominal aluminium excess. The prospects of such composites for the degradation of organic pollutants under simulated solar light, using benzene as a model system, were demonstrated and analysed in combination with their structural, microstructural and optical properties. A notable photocatalytic activity of bare MXene under near infrared light was discovered, suggesting further prospects for light-to-energy harvesting spanning from UV-A to NIR and applications in biomedical imaging and sensors.

3D structured TiO2-based aerogel photocatalyst for the high-efficiency degradation of toluene gas

Dai, Li,Guan, Jie,Li, Shijie,Li, Xueying,Yu, Wei,Zhang, Li

, p. 2272 - 2281 (2022/02/16)

Photocatalytic technology is a green , environmentally friendly, energy-saving technology, which is considered to be an ideal method for removing volatile organic compounds (VOCs). At present, photocatalytic technology mostly uses powdered catalysts, which is not conducive to recycling and restricts the contact between the gas and catalyst. In this work, a three-dimensional (3D)-structured TiO2-based aerogel with TiO2 as the main body and all the components beneficial to photocatalysis was prepared for the first time. Under simulated sunlight irradiation, the toluene-removal rate of the Pt-loaded TiO2 and reduced graphene oxide (RGO) composite aerogel (denoted as Pt-TiO2/RGO aerogel, or PTA thereafter) was 60.47% higher than that of the pure RGO aerogel, and 56.03% higher than that of the bare TiO2 nanofibers. The block-shaped composite aerogel could be easily recycled, and the C/C0 of toluene using the recycled sample decreased by only 5.31% in the 5th run. The Pt-TiO2/RGO composite aerogel had the highest photocatalytic degradation rate of toluene with a relative humidity (RH) of 60-80%, which is conducive to the purification of VOCs in high-humidity areas. The 3D aerogel enriches the contact between the solid photocatalyst and the toluene molecules, and also solves the problem of low adhesion between the catalyst and the carrier. This work provides a new perspective for the efficient removal of toluene gas by constructing a highly active 3D TiO2 aerogel with an increased gas-solid reaction rate.

2-(4-Nitrophenyl)-1H-indolyl-3-methyl Chromophore: A Versatile Photocage that Responds to Visible-light One-photon and Near-infrared-light Two-photon Excitations

Abe, Manabu,Guo, Runzhao,Hamao, Kozue,Lin, Qianghua,Takagi, Ryukichi

supporting information, p. 153 - 156 (2022/02/14)

Due to cell damage caused by UV light, photoremovable protecting groups (PPGs) that are removed using visible or near-infrared light are attracting attention. A 2-(4-nitrophenyl)- 1H-indolyl-3-methyl chromophore (NPIM) was synthesized as a novel PPG. Various compounds were caged using this PPG and uncaged using visible or near-infrared light. Low cytotoxicity of NPIM indicates that it may be applied in physiological studies.

One-step solvent-free aerobic oxidation of aliphatic alcohols to esters using a tandem Sc-Ru?MOF catalyst

Feng, Tingkai,Li, Conger,Li, Tao,Zhang, Songwei

supporting information, p. 1474 - 1480 (2022/03/08)

Esters are an important class of chemicals in industry. Traditionally, ester production is a multi-step process involving the use of corrosive acids or acid derivatives (e.g. acid chloride, anhydride, etc.). Therefore, the development of a green synthetic protocol is highly desirable. This work reports the development of a metal-organic framework (MOF) supported tandem catalyst that can achieve direct alcohol to ester conversion (DAEC) using oxygen as the sole oxidizing agent under strictly solvent-free conditions. By incorporating Ru nanoparticles (NPs) along with a homogeneous Lewis acid catalyst, scandium triflate, into the nanocavities of a Zr MOF, MOF-808, the compound catalyst, Sc-Ru?MOF-808, can achieve aliphatic alcohol conversion up to 92% with ester selectivity up to 91%. A mechanistic study reveals a unique “via acetal” pathway in which the alcohol is first oxidized on Ru NPs and rapidly converted to an acetal on Sc(iii) sites. Then, the acetal slowly decomposes to release an aldehyde in a controlled manner for subsequent oxidation and esterification to the ester product. To the best of our knowledge, this is the first example of DAEC of aliphatic alcohols under solvent-free conditions with high conversion and ester selectivity.

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