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Benzothiazole, 2-propyl(6CI,7CI,8CI,9CI), also known as 2-Propylbenzothiazole, is an organic chemical compound characterized by a molecular formula of C11H13NS. It features a benzene ring fused to a thiazole ring, with a propyl substituent attached to the nitrogen atom. This versatile compound is primarily utilized as a synthetic intermediate in the synthesis of pharmaceuticals, pesticides, and other organic compounds. Additionally, it finds applications as a rubber accelerator, corrosion inhibitor, and fragrance ingredient. However, due to its potential environmental contamination, Benzothiazole, 2-propylis subject to regulations to mitigate its impact on human health and the environment.

17229-76-4

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17229-76-4 Usage

Uses

Used in Pharmaceutical Industry:
Benzothiazole, 2-propyl(6CI,7CI,8CI,9CI) is used as a synthetic intermediate for the production of various pharmaceuticals. Its unique chemical structure allows it to be a key component in the synthesis of drugs with diverse therapeutic applications, including antimicrobial, anti-inflammatory, and anti-cancer properties.
Used in Pesticide Industry:
In the pesticide industry, Benzothiazole, 2-propyl(6CI,7CI,8CI,9CI) serves as a crucial intermediate in the synthesis of bioactive compounds with pesticidal properties. Its incorporation into pesticide formulations helps in the development of effective and targeted pest control solutions.
Used in Rubber Industry:
Benzothiazole, 2-propyl(6CI,7CI,8CI,9CI) is used as a rubber accelerator in the rubber industry. It enhances the vulcanization process, improving the rubber's strength, elasticity, and resistance to wear and tear.
Used in Corrosion Inhibition:
As a corrosion inhibitor, Benzothiazole, 2-propyl(6CI,7CI,8CI,9CI) is employed in various industrial applications to protect metal surfaces from corrosion. Its ability to form a protective film on metal surfaces helps in reducing the rate of corrosion and extending the service life of equipment and structures.
Used in Fragrance Industry:
In the fragrance industry, Benzothiazole, 2-propyl(6CI,7CI,8CI,9CI) is used as an ingredient in the formulation of various scented products. Its unique aromatic properties contribute to the development of complex and long-lasting fragrances for personal care, household, and other applications.
Environmental Considerations:
Due to its potential as an environmental contaminant, Benzothiazole, 2-propyl(6CI,7CI,8CI,9CI) is regulated to minimize its impact on human health and the environment. Strict guidelines and monitoring systems are in place to ensure its safe handling, disposal, and management throughout its lifecycle.

Check Digit Verification of cas no

The CAS Registry Mumber 17229-76-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,7,2,2 and 9 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 17229-76:
(7*1)+(6*7)+(5*2)+(4*2)+(3*9)+(2*7)+(1*6)=114
114 % 10 = 4
So 17229-76-4 is a valid CAS Registry Number.

17229-76-4SDS

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 2-Propyl-1,3-benzothiazole

1.2 Other means of identification

Product number -
Other names 2-propyl-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:17229-76-4 SDS

17229-76-4Relevant academic research and scientific papers

A biomass-derived N-doped porous carbon catalyst for the aerobic dehydrogenation of nitrogen heterocycles

Cui, Fu-Jun,Guo, Fu-Hu,Liu, Jing-Jiang,Liu, Xiao-Yu,Quan, Zheng-Jun,Ullah, Arif,Wang, Xi-Cun,Zhu, Ji-Hua

supporting information, p. 1791 - 1799 (2022/01/31)

N-doped porous carbon (NC) was synthesized from sugar cane bagasse, which is a sustainable and widely available biomass waste. The preferred NC sample had a well-developed porous structure, a graphene-like surface morphology and different N species. More

Iodine-promoted ring-opening methylation of benzothiazoles with dimethyl sulfite

Guo, Ying-Qiong,Chen, Fan,Deng, Chen-Liang,Zhang, Xing-Guo

supporting information, p. 1923 - 1926 (2021/03/02)

A halogen-bond promoted ring-opening methylation of benzothiazoles has been developed using dimethyl sulphite as a methylating reagent in the presence of a base. This approach represents a simple and efficient synthesis ofN-methyl-N-(o-methylthio)phenyl amides, and features direct construction of both N-Me and S-Me bonds in a one-pot reaction through the decomposition of easily prepared benzothiazoles.

Visible-Light Carbon Nitride-Catalyzed Aerobic Cyclization of Thiobenzanilides under Ambient Air Conditions

Bai, Jin,Yan, Sijia,Zhang, Zhuxia,Guo, Zhen,Zhou, Cong-Ying

, p. 4843 - 4848 (2021/06/28)

A metal-free heterogeneous photocatalysis has been developed for the synthesis of benzothiazoles via intramolecular C-H functionalization/C-S bond formation of thiobenzanilides by inexpensive graphitic carbon nitride (g-C3N4) under visible-light irradiation. This reaction provides access to a broad range of 2-substituted benzothiazoles in high yields under an air atmosphere at room temperature without addition of a strong base or organic oxidizing reagents. In addition, the catalyst was found to be stable and reusable after five reaction cycles.

Photocatalyst- And Transition-Metal-Free Visible-Light-Promoted Intramolecular C(sp2)-S Formation

Wang, Hao,Wu, Qi,Zhang, Jian-Dong,Li, Hai-Yan,Li, Hong-Xi

, p. 2078 - 2083 (2021/04/05)

A photocatalyst- and transition-metal-free visible-light-induced cyclization of ortho-halothiobenzanilides has been developed. Upon irradiation with visible light, substrates undergo dehalogenative cyclization to 2-aryl benzothiazoles with high efficiency and selectivity. This photocyclization exhibits a high tolerance to various functional groups, is applicable for the synthesis of 2-alkyl benzothiazoles, and is easy to set up for gram-scale reaction.

Method for preparing alkyl benzothiazole derivative under visible light

-

Paragraph 0027-0029, (2021/06/22)

The invention discloses a method for preparing an alkyl benzothiazole derivative under visible light, which specifically comprises the following steps: under the protection of inert gas, adding N-(2-bromophenyl) alkyl thioamide and inorganic base into a reaction container provided with a stirring device, then adding dimethyl sulfoxide, stirring and reacting for 24 hours at room temperature under the irradiation of visible light, and obtaining the alkyl benzothiazole derivative. Under the condition of not adding any photosensitizer or transition metal catalyst, sodium phosphate is used as alkali, and under the irradiation of a 45W household compact fluorescent lamp, a series of intramolecular cross-coupling reactions of N-(2-bromophenyl) alkyl thioamide are realized. In addition, the alkylbenzothiazole derivative can be obtained with high yield. The whole process is green, efficient and easy to operate, and the method is a good method for synthesizing the alkylbenzothiazole derivative.

Insertion Reaction of 2-Halo- N -allylanilines with K 2S Involving Trisulfur Radical Anion: Synthesis of Benzothiazole Derivatives under Transition-Metal-Free Conditions

Liu, Xin-Yu,Zhao, Yan-Wei,Jiang, Tian,Rao, Weidong,Wang, Shun-Yi

, p. 971 - 977 (2020/12/28)

A synthesis of benzothiazole derivatives through the reaction of 2-halo- N -allylanilines with K 2S in DMF is developed. The trisulfur radical anion S 3· -, which is generated in situ from K 2S in DMF, initiates

Photocatalytic green synthesis of benzazoles from alcohol oxidation/toluene sp3C-H activation over metal-free BCN: effect of crystallinity and N-B pair exposure

Cheng, Hongmei,Gao, Xue,Jiang, Heyan,Sun, Bin,Zang, Cuicui

, p. 7955 - 7962 (2021/12/27)

Porous borocarbonitride (P-BCN), with the characteristics of enhanced crystallinity and improved N-B pair exposure, was prepared with a simple KCl-assisted molten salt strategy. Efficient heterogeneous photocatalytic tandem synthesis of benzazoles from alcohol oxidation/toluene sp3C-H activation was achieved firstly over the metal-free P-BCN using visible light and the green oxidant O2, with only water as a by-product. Variouso-thio/hydroxy/aminoanilines and alcohols or toluenes could be converted to the corresponding 2-substituted benzothiazoles, benzoxazoles and benzimidazoles with good to excellent photocatalytic performance. The improved photocatalytic performance in comparison to bulk BCN should be due to the crystallinity-enhancement-induced improvement in charge separation and transmission. The increased N-B pair exposure promoted superoxide radical generation due to the electron-enriched N atoms, as well as improved oxidation ability due to the valence band constructed by the B 2p orbital. This work presents a green and efficient synthetic strategy towards benzazoles and other fine chemicalsviametal-free heterogeneous photocatalysis.

Visible-light-mediated organoboron-catalysed metal-free dehydrogenation of N-heterocycles using molecular oxygen

Wei, Lanfeng,Wei, Yu,Xu, Liang,Zhang, Jinli

supporting information, p. 4446 - 4450 (2021/06/30)

The surge of photocatalytic transformation not only provides unprecedented synthetic methods, but also triggers the enthusiasm for more sustainable photocatalysts. On the other hand, oxygen is an ideal oxidant in terms of atom economy and environmental friendliness. However, the poor reactivity of oxygen at the ground state makes its utilization challenging. Herein, a visible-light-induced oxidative dehydrogenative process is disclosed, which uses an organoboron compound as the photocatalyst and molecular oxygen as the sole oxidant.Viathis approach, an array of N-heterocycles have been accessed under metal-free mild conditions, in good to excellent yields.

Method for preparing N - heterocyclic ring through visible light mediated dehydrogenation

-

Paragraph 0142-0147, (2021/10/02)

The invention discloses a method for preparing N - heterocyclic rings through visible light mediated dehydrogenation, and the reaction can be carried out under the conditions of room temperature and visible light without heating. The novel tetra-coordination N-N - diaryl chelating borate compound serves as a photocatalyst, so that the use of a noble metal photocatalyst is avoided, precious metal residue in the reaction product can be reduced as much as possible, and the method is more suitable for synthesizing bioactive molecules.

Method for synthesizing benzothiazole by microwave radiation of benzothioamide compound in aqueous phase

-

Paragraph 0013; 0016, (2019/02/13)

The invention discloses a method for synthesizing benzothiazole by microwave radiation of a benzothioamide compound in an aqueous phase. The method includes the steps: adding the benzothioamide compound into the aqueous phase under microwave conditions; performing cyclization under alkaline conditions to generate the benzothiazole. The method for preparing the benzothiazole is environmentally friendly, simple and convenient in operation, safe, cheap and efficient. Compared with the prior art, the method is applicable to a lot of functional groups, high in yield, few in by-products, simple in operation, safe, low in cost and environmentally friendly.

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