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Benzothiazole, 2-(methylsulfinyl)-, also known as 2-(methylsulfinyl)benzothiazole, is an organic compound with the chemical formula C8H7NOS2. It is a derivative of benzothiazole, which is a heterocyclic compound consisting of a benzene ring fused to a thiazole ring. The methylsulfinyl group is attached to the 2-position of the benzothiazole ring, giving it unique chemical properties. Benzothiazole, 2-(methylsulfinyl)- (7CI,8CI,9CI) is primarily used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other chemical products. It is also known for its potential applications in materials science, such as in the development of new dyes and pigments. The compound is typically synthesized through various chemical reactions, and its stability and reactivity can be influenced by factors such as temperature and the presence of other chemicals.

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  • 3507-54-8 Structure
  • Basic information

    1. Product Name: Benzothiazole, 2-(methylsulfinyl)- (7CI,8CI,9CI)
    2. Synonyms: Benzothiazole, 2-(methylsulfinyl)- (7CI,8CI,9CI)
    3. CAS NO:3507-54-8
    4. Molecular Formula: C8H7NOS2
    5. Molecular Weight: 197.27728
    6. EINECS: N/A
    7. Product Categories: BENZOTHIAZOLE
    8. Mol File: 3507-54-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzothiazole, 2-(methylsulfinyl)- (7CI,8CI,9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzothiazole, 2-(methylsulfinyl)- (7CI,8CI,9CI)(3507-54-8)
    11. EPA Substance Registry System: Benzothiazole, 2-(methylsulfinyl)- (7CI,8CI,9CI)(3507-54-8)
  • 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: 3507-54-8(Hazardous Substances Data)

3507-54-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3507-54-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,5,0 and 7 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 3507-54:
(6*3)+(5*5)+(4*0)+(3*7)+(2*5)+(1*4)=78
78 % 10 = 8
So 3507-54-8 is a valid CAS Registry Number.

3507-54-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(methylsulfinyl)benzothiazole

1.2 Other means of identification

Product number -
Other names 2-Methanesulfinyl-benzothiazole

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:3507-54-8 SDS

3507-54-8Relevant articles and documents

Kinetic Modelling of the catalytic oxidation of 2-(methylmercapto)-benzothiazole under mild conditions

Córdoba,Saux,Pierella

, p. 173 - 180 (2017)

2-(Methylmercapto)-benzothiazole oxidation was performed over Copper modified zeolites. The microporous materials were synthesized by the hydrothermal crystallization method and later modified with metal incorporation by wet impregnation. The solid cataly

Transition metal-modified polyoxometalates supported on carbon as catalyst in 2-(methylthio)-benzothiazole sulfoxidation

Frenzel, Romina A.,Romanelli, Gustavo P.,Blanco, Mirta N.,Pizzio, Luis R.

, p. 123 - 132 (2015)

Polyoxometalates with lacunary Keggin structure modified with transition metal ions [PW11O39 M(H2O)]5-, where M = Ni2+, Co2+, Cu2+ or Zn2+, were synthesized and supported on activated carbon to obtain the PW11MC catalysts. Using FT-IR and DTA-TGA it was concluded that the [PW11O39M(H2O)]5- species are interacting with the functional groups of the support, and that thermal treatment leads to the loss of the coordinatively bonded water molecules without any noticeable anion degradation. The activity and selectivity of the catalysts in the sulfoxidation reaction of 2-(methylthio)-benzothiazole, an emerging environmental pollutant, were evaluated. The reaction was carried out in acetonitrile as solvent using H2O2 35% p/v as a clean oxidant. The conversion values decreased in the following order: PW11NiC > PW11CuC > PW11CoC > PW11ZnC, with selectivity to sulfoxide higher than 69%. The catalyst could be reused without appreciable loss of the catalytic activity at least three times. The materials were found to be efficient and recyclable catalysts for 2-(methylthio)-benzothiazole sulfoxidation in order to obtain a more biodegradable product than the corresponding substrate. [Figure not available: see fulltext.]

Active potassium niobates and titanoniobates as catalysts for organic sulfide remediation

Saux, Clara,Leal Marchena, Candelaria,Dinamarca, Robinson,Pecchi, Gina,Pierella, Liliana

, p. 58 - 61 (2016)

Pure (KNbO3) and titanium-substituted (KTi0.1Nb0.9O3 and KTi0.2Nb0.8O3) potassium niobates with perovskite crystalline structures were prepared, characterized and tested as catal

Selective and mild sulfoxidation of 2-sulfylbenzothiazole using hydroperoxides derived from cyclohexanone in the absence of catalyst

Shi, Wenjun,Yu, Chunmian,Zhou, Xinrui,Zhu, Shihao

, (2021/05/26)

Alkyl hydroperoxides derived from cyclohexanone are attractive oxidants because they are easily available, more reactive than TBHP but much less acidic than m-CPBA. Wherein 1,1′-peroxybis(1-hydroperoxycyclohexane) (C) can be generated by the current simply method and displays the excellent reactivity and selectivity based on oxidative reactions of various benzothiazolyl sulfides substituted by different function groups. The research found that the reactions can be performed in the absence of catalyst and under very mild conditions optimized. Yields of sulfoxides is higher than 90%, no or a little reaction happened at the proximal double bond、 N and S atoms in the benzothiazolyl moiety. Phenyl sulfide as the substrates was also examined for the reaction scope test. The results show that they were uniquely and completely oxidized to sulfoxides in 1 h. A mild, environmentally friendly, catalyst-free aryl sulfide sulfoxidation method has been developed.

Synthesis method of sulfoxide compound

-

Paragraph 0031-0033; 0107-0109, (2021/04/07)

The invention discloses a method for preparing sulfoxide derivatives with industrial application value through substituted diaryl (heterocyclic aryl) and aryl (heterocyclic aryl) alkyl sulfide compounds. Under electrochemical reaction conditions, diaryl (heterocyclic aryl) and aryl (heterocyclic aryl) alkyl sulfide compounds which are wide in source and easy to prepare and have structural diversity are used as raw materials, lithium perchlorate (LiClO4) is used as an electrolyte, acetonitrile (CH3CN) is used as a solvent, and oxygen is used as an oxidizing agent to prepare the diaryl (heterocyclic aryl) and aryl (heterocyclic aryl) alkyl sulfoxide derivatives. Compared with reported preparation methods of sulfoxide derivatives, the preparation method disclosed by the invention is green, environment-friendly, safe, energy-saving, wide in substrate application range, good in compatibility of product functional groups, easy in obtaining of raw materials and simple and convenient to operate.

Electrochemical Scalable Sulfoxidation of Sulfides with Molecular Oxygen and Water

Cheng, Zhen,Gao, Xinglian,Yao, Lingling,Wei, Zhaoxin,Qin, Guohui,Zhang, Yonghong,Wang, Bin,Xia, Yu,Abdukader, Ablimit,Xue, Fei,Jin, Weiwei,Liu, Chenjiang

, p. 3743 - 3747 (2021/07/26)

An efficient and chemoselective synthesis of sulfoxides through the electrooxidation of sulfides has been well developed. This protocol takes advantage of electricity as the terminal oxidant and of molecular oxygen and water as the oxygen atom sources. A variety of structurally diverse sulfoxide compounds are assembled in moderate to excellent yields. The scaled-up reactions at 6–20 mmol show the good practicability and application potential of this methodology. A possible free radical mechanism has been proposed to rationalize the reaction procedure.

Highly Chemoselective and Enantioselective Catalytic Oxidation of Heteroaromatic Sulfides via High-Valent Manganese(IV)-Oxo Cation Radical Oxidizing Intermediates

Dai, Wen,Shang, Sensen,Lv, Ying,Li, Guosong,Li, Chunsen,Gao, Shuang

, p. 4890 - 4895 (2017/07/24)

A manganese complex with a porphyrin-like ligand that catalyzes the highly chemoselective and enantioselective oxidation of heteroaromatic sulfides, including imidazole, benzimidazole, indole, pyridine, pyrimidine, pyrazine, sym-triazine, thiophene, thiaz

Carbon-supported metal-modified lacunary tungstosilicic polyoxometallates used as catalysts in the selective oxidation of sulfides

Frenzel, Romina,Sathicq, ángel G.,Blanco, Mirta N.,Romanelli, Gustavo P.,Pizzio, Luis R.

, p. 27 - 36 (2015/04/14)

Lacunary tungstosilicic polyoxometallates modified with transition metal ions [SiW11O39M(H2O)]6-, where M = Mn2+, Fe2+, Co2+or Cu2+, were synthesized and supported on activated carbon to obtain the SiW11MC catalysts. The samples were characterized by FT-IR, XRD, N2 adsorption-desorption measurements, and the acidic properties were determined using the isopropanol dehydration test reaction. The activity and selectivity of the catalysts were evaluated in the selective oxidation of a series of sulfides to sulfoxides or sulfone. The reaction was carried out in acetonitrile as solvent using H2O2 35% p/V as a clean oxidant. The conversion values decreased in the following order: SiW11MnC > SiW11FeC > SiW11CuC > SiW11CoC. The catalysts were reused without appreciable loss of their catalytic activity. It was found that the activity of the catalysts decreases in parallel with the increment in the reduction temperature values. The most easily reducible catalyst displayed the highest conversion values. We found a convenient and selective procedure for oxidizing sulfides to sulfoxides or sulfones using aqueous hydrogen peroxide and a catalytic amount of lacunary tungstosilicic polyoxometallates supported on carbon at low temperatures (20-50 °C) in a reasonably short reaction time

Carbonyl olefination of diaryl ketones with heteroaryl sulfoxides

Gao, Bing,Hu, Jingyu,Zhao, Yanchuan,Hu, Jinbo

supporting information, p. 4180 - 4183 (2015/06/22)

Heteroaryl sulfones are capable of converting the carbonyl functionalities to alkenyl motifs, which is well-known as Julia-Kocienski olefination reaction. However, their sulfoxide analogues have failed in such an olefination reaction for over twenty years

Selective Oxidation of Sulfides to Sulfoxides Using Modified Keggin Heteropolyacids as Catalyst

Palermo, Valeria,Sathicq, Angel G.,Vazquez, Patricia G.,Romanelli, Gustavo P.

supporting information, p. 1423 - 1432 (2015/10/29)

The use of modified Keggin phosphomolybdic heteropolyacids (HPA) (V and Al) as catalysts in the selective oxidation of sulfides to the corresponding sulfoxides is reported. Excellent yields were obtained (13 examples: 79%-95%), using 35% (w/v) aqueous hydrogen peroxide as oxidant, and acetonitrile as solvent at 25°C. The relationship between the electron densities of the sulfur atoms, which was estimated by molecular theoretical calculations, and the oxidative relativities of the sulfur-containing compounds was also investigated. The results indicate that the time for 100% conversion decreases with an increase in electron density.

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