1629-07-8

Basic information

• Product Name: 2-(3-FLUOROPHENYL)-1,3-BENZOTHIAZOLE
• Synonyms: 2-(3-FLUOROPHENYL)-1,3-BENZOTHIAZOLE;2-(3-Fluoro-phenyl)-benzothiazole;2-(3-Fluorophenyl)benzo[d]thiazole
• CAS NO: 1629-07-8
• Molecular Formula: C₁₃H₈FNS
• Molecular Weight: 229.2727232
• Mol File: 1629-07-8.mol
• Article Data: 29

Chemical Properties

• Melting Point: 71-73 °C
• Boiling Point: 361.3 °C at 760 mmHg
• Flash Point: 172.3 °C
• Appearance: /
• Density: 1.304 g/cm³
• Vapor Pressure: 4.34E-05mmHg at 25°C
• Refractive Index: 1.663
• PKA: 0.38±0.10(Predicted)
• CAS DataBase Reference: 2-(3-FLUOROPHENYL)-1,3-BENZOTHIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-FLUOROPHENYL)-1,3-BENZOTHIAZOLE(1629-07-8)
• EPA Substance Registry System: 2-(3-FLUOROPHENYL)-1,3-BENZOTHIAZOLE(1629-07-8)

Safety Data

• Hazardous Substances Data: 1629-07-8(Hazardous Substances Data)

Usage

General Description

2-(3-Fluorophenyl)-1,3-benzothiazole is a chemical compound with the molecular formula C14H9NSF. It is a benzothiazole derivative with a fluorophenyl substituent. 2-(3-FLUOROPHENYL)-1,3-BENZOTHIAZOLE is used in the pharmaceutical industry as an intermediate in the synthesis of potential drugs and bioactive compounds. It may also have applications in materials science and organic synthesis. 2-(3-Fluorophenyl)-1,3-benzothiazole has the potential for further research and development in various fields due to its unique molecular structure and potential biological activities.

InChI:InChI=1/C13H8FNS/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H

Upstream product

• 137-07-5 2-amino-benzenethiol 
• 1711-07-5 3-fluorobenzoyl chloride 
• 403-54-3 m-Fluorobenzonitrile 
• 2516-40-7 2-bromo-1,3-benzothiazole 
• 768-35-4 3-fluorophenylboronic acid 
• 456-48-4 3-Fluorobenzaldehyde 
• 95-16-9 1,3-Benzothiazole 
• 1121-86-4 1-Fluoro-3-iodobenzene 
• 615-43-0 2-iodophenylamine 
• 350-51-6 3-fluorostyrene 
• 100-82-3 (3-fluorophenyl)methanamine 
• 88-73-3 2-Chloronitrobenzene 
• 456-42-8 m-fluorobenzyl chloride 
• 331-25-9 (3-fluorophenyl)acetic acid 

Downstream Products

• 90481-42-8 2-(benzo[d]thiazol-2-yl)-4-fluoro-phenol 

Relevant articles and documents

α-Keto Acids as Triggers and Partners for the Synthesis of Quinazolinones, Quinoxalinones, Benzooxazinones, and Benzothiazoles in Water

A general and efficient method for the synthesis of quinazolinones, quinoxalinones, benzooxazinones, and benzothiazoles from the reactions of α-keto acids with 2-aminobenzamides, benzene-1,2-diamines, 2-aminophenols, and 2-aminobenzenethiols, respectively, is described. The reactions were conducted under catalyst-free conditions, using water as the sole solvent with no additive required, and successfully applied to the synthesis of sildenafil. More importantly, these reactions can be conducted on a mass scale, and the products can be easily purified through filtration and washing with ethanol (or crystallized).

Method for preparing benzothiazole compound from visible light promoted N-(2-bromophenyl) thioamide

The invention discloses a method for preparing a benzothiazole compound from N-(2-bromophenyl) thioamide under the promotion of visible light. Specifically, under the protection of inert gas, according to the molar ratio of N-(2-bromophenyl) thioamide to inorganic base being 1: 0.5, reactants are added into a reaction container provided with a stirring device, then dimethyl sulfoxide is added, and stirring reaction is carried out for 2-24 hours at room temperature under the irradiation of visible light to obtain the benzothiazole compound. 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) thioamide are realized. In addition, the benzothiazole compound 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 benzothiazole compound.

Photoinduced Heterogeneous C?H Arylation by a Reusable Hybrid Copper Catalyst

Heterogeneous copper catalysis enabled photoinduced C?H arylations under exceedingly mild conditions at room temperature. The versatile hybrid copper catalyst provided step-economical access to arylated heteroarenes, terpenes and alkaloid natural products with various aryl halides. The hybrid copper catalyst could be reused without significant loss of catalytic efficacy. Detailed studies in terms of TEM, HRTEM and XPS analysis of the hybrid copper catalyst, among others, supported its outstanding stability and reusability.