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Benzothiazole, 2,3-dihydro-2,2-diMethyl-, also known as 2,2-dimethyl-2,3-dihydrobenzothiazole, is a chemical compound with the molecular formula C9H11NS. It is a pale yellow to yellow liquid that is commonly used as a fragrance ingredient in perfumes and a flavoring agent in food products. Additionally, it is utilized in the manufacturing of rubber, plastics, and pharmaceuticals. Benzothiazole, 2,3-dihydro-2,2-diMethylis considered to have low toxicity, but it is essential to handle it with care and take proper protective measures when working with it.

25111-89-1

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25111-89-1 Usage

Uses

Used in Perfumery Industry:
Benzothiazole, 2,3-dihydro-2,2-diMethylis used as a fragrance ingredient in perfumes for its unique scent and ability to enhance the overall aroma of the product.
Used in Food Industry:
In the food industry, Benzothiazole, 2,3-dihydro-2,2-diMethylis used as a flavoring agent to impart specific tastes and improve the overall flavor profile of food products.
Used in Rubber Manufacturing:
Benzothiazole, 2,3-dihydro-2,2-diMethylis utilized in the manufacturing of rubber, where it serves as an additive to improve the properties of the final product, such as durability and flexibility.
Used in Plastics Industry:
In the plastics industry, Benzothiazole, 2,3-dihydro-2,2-diMethylis used as an additive to enhance the characteristics of plastic materials, such as strength, flexibility, and resistance to environmental factors.
Used in Pharmaceutical Industry:
Benzothiazole, 2,3-dihydro-2,2-diMethylis employed in the pharmaceutical industry as an intermediate in the synthesis of various drugs, contributing to the development of new medications and therapies.

Check Digit Verification of cas no

The CAS Registry Mumber 25111-89-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,5,1,1 and 1 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 25111-89:
(7*2)+(6*5)+(5*1)+(4*1)+(3*1)+(2*8)+(1*9)=81
81 % 10 = 1
So 25111-89-1 is a valid CAS Registry Number.
InChI:InChI=1/C9H11NS/c1-9(2)10-7-5-3-4-6-8(7)11-9/h3-6,10H,1-2H3

25111-89-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2-dimethyl-3H-1,3-benzothiazole

1.2 Other means of identification

Product number -
Other names benzothiazole,2,3-dihydro-2,2-dimethyl

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:25111-89-1 SDS

25111-89-1Relevant academic research and scientific papers

Oxidant/Solvent-Controlled I2-Catalyzed Domino Annulation for Selective Synthesis of 2-Aroylbenzothiazoles and 2-Arylbenzothiazoles under Metal-Free Conditions

Ma, Renchao,Ding, Yuxin,Chen, Rener,Wang, Zhiming,Wang, Lei,Ma, Yongmin

, p. 310 - 321 (2021/01/09)

A simple and practical domino protocol for the selective synthesis of 2-aroylbenzothiazoles and 2-aryl benzothiazoles catalyzed by I2 is developed under metal-free conditions. The reaction outcomes are exclusively controlled by the reaction oxidant/medium. With DMSO employed as both the solvent and the oxidant, an oxidation of aromatic methyl ketones takes precedence over the condensation with 2-aminobenzenethiols. On the other hand, when the reaction was carried out in PhNO2 or in 1,4-dioxane containing PhNO2, the condensation of aromatic methyl ketones with 2-aminobenzenethiols has priority to form imines which is followed by an oxidation of the methyl group from ketones to afford 2-arylbenzothiazoles as a sole product. The PhNO2/I2 co-catalytic system is proposed first time.

Solvent-free synthesis and safener activity of sulfonylurea benzothiazolines

Fu, Ying,Wang, Jing-Yi,Zhang, Dong,Chen, Yu-Feng,Gao, Shuang,Zhao, Li-Xia,Ye, Fei

, (2017/10/13)

A series of novel sulfonylurea benzothiazolines was designed by splicing active groups and bioisosterism. A solvent-free synthetic route was developed for the sulfonylurea benzothiazoline derivatives via the cyclization and carbamylation. All compounds were characterized by IR, 1H-NMR, 13C-NMR, HRMS. The biological activity tests indicated the compounds could protect maize against the injury caused by chlorsulfuron to some extent. The molecular docking result showed that the new compound competed with chlorsulfuron to bind with the herbicide target enzyme active site to attain detoxification.

RODENTIA ANIMAL REPELLENT

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Paragraph 0035, (2016/10/27)

PROBLEM TO BE SOLVED: To provide a repellent having a superior repellent activity for Rodentia animals, and a repellent method for Rodentia animals. SOLUTION: A Rodentia animal repellent contains, as an active ingredient, a compound represented by the for

RODENTIA ANIMAL REPELLENT

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Paragraph 0035, (2016/06/06)

Provided are a repellent having a superior repellent activity for Rodentia animal and a repellent method for Rodentia animal. A Rodentia animal repellent containing, as an active ingredient, a compound represented by the formula (1) wherein Z1

Benzothiaoline three-coordinated organoboron compounds with a B=N bond: Dual emission and temperature-dependent excimer fluorescence

Mellerup, Soren K.,Wang, Suning

, p. 5483 - 5491 (2015/02/19)

A series of 2,2-disubstituted benzothiazoline-BMes2 (Mes = mesityl) compounds containing a B=N bond have been prepared and fully characterized. Their photophysical properties were investigated by UV-vis and fluorescence spectroscopy, which reve

The efficient o-benzenedisulfonimide catalysed synthesis of benzothiazoles, benzoxazoles and benzimidazoles

Barbero, Margherita,Cadamuro, Silvano,Dughera, Stefano

, p. 262 - 279 (2013/02/25)

O-Benzenedisulfonimide has been used to efficiently catalyse the reaction between 2-aminothiophenol, 2-aminophenol, o-phenylenediamine and various ortho esters (28 examples; average yield 90%) or aldehydes (17 examples; average yield 72%) giving the corresponding benzofused azoles in excellent yields. Reaction conditions were very simple. In addition, other carboxylic acid derivatives have been tested and gave good results. The catalyst was easily recovered and reused. ARKAT-USA, Inc.

Solvent-free synthesis of benzothiazolines in the presence of alumina

Kodomari, Mitsuo,Satoh, Akihito,Nakano, Ryo,Aoyama, Tadashi

, p. 3329 - 3335 (2008/02/13)

o-Aminothiophenol reacted with ketones and β-keto esters in the presence of alumina under mild and solvent-free conditions to afford the corresponding benzothiazolines in high yields. Alumina can be reused for subsequent reactions without any loss of the

Gas/Solid Reactions with Acetone

Kaupp, Gerd,Pogodda, Uwe,Schmeyers, Jens

, p. 2249 - 2262 (2007/10/02)

Gas/solid reactions of acetone vapor with neutral organic compounds, salts, or host crystals with strict exclusion of solvents are reported.This gas/solid technique largely avoids waste formation and saves resources.Starting hydrochlorides or hydrobromides are also synthesized by gas/solid techniques.Dihydrohalides of o-phenylenediamines give 1,5-benzodiazepines 3, aromatic and aliphatic 1,2-aminothiols (o-aminothiophenol, penicillamines, cysteine) yield five-membered thiazolines and thiazolidines 7, 9, 11, 13.Virtually all carbonyl reagents of the primary amino type 14 give quantitatively the imino derivatives 15 and water.Salt formation may be helpful for increasing melting points and sometimes reactivity as in 8, 10, and 12 if surface passivation has to be overcome.In the case of solid 14 the free bases react equally well.Acetone (2) may be quantitatively removed from exhaust gases by using hydroxylaminium phosphate with formation of free acetone oxime at high flow rates.Inclusion of acetone into various hosts (17-20, but not 16) is more efficient by imbibition from the gas phase than by crystallization from acetone as the solvent.This advantage may be utilized for gas separations.Some further gases (vapors) coexist in imbibed clathrates whereas others do not.The mechanisms of the gas/solid reactions are elucidated using atomic force microscopy (AFM).Phase rebuildings involve anisotropic movements of molecules over large distances and the formation of characteristic features.In some cases surface hydrates catalyze the gas/solid reaction.Solid-state mechanisms for imbibition from the gas phase into host crystals with formation of clathrates are similar in nature to those of the covalent reactions.These results are correlated with known X-ray crystal structures where available. - Key Words: Gas/solid reactions / Imbibition / Acetone derivatives / Atomic force microscopy / Anisotropic phase rebuilding / Waste prevention

Studies on the Chemistry of O,N- and S,N-Containing Heterocycles, 9. - Investigations of the Formation of Pyridobenzoxazepines and Pyridobenzothiazepines

Erker, Thomas

, p. 601 - 604 (2007/10/02)

The formation of the pyrido-anellated heterocycles 1 and 3 has been studied.GC-MS investigations of the reaction of 2-aminophenol and 7 with acetone show the stepwise condensation of acetone units.Furthermore, the reaction of 7 with 2-butanone, benzaldehyde, and acetophenone, respectively, has been examined.

10,11-dihydro-dibenzo-[b,f][1,4]-thiazepin derivatives

-

, (2008/06/13)

Compounds of the Formula I: STR1 are inhibitors of the mammalian 5-lipoxygenase enzyme system of the arachidonic acid cascade. As such, these compounds are useful therapeutic agents for treating allergic conditions, asthma, cardiovascular disorders and inflammation and are useful as cytoprotective agents.

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