1747-46-2

Basic information

• Product Name: BENZOTHIAZOLE, 2-(2-FLUOROPHENYL)-
• Synonyms: BENZOTHIAZOLE, 2-(2-FLUOROPHENYL)-;2-(2-Fluoro-phenyl)-benzothiazole
• CAS NO: 1747-46-2
• Molecular Formula: C₁₃H₈FNS
• Molecular Weight: 229.2727232
• Mol File: 1747-46-2.mol
• Article Data: 35

Chemical Properties

• Boiling Point: 358.8°Cat760mmHg
• Flash Point: 170.8°C
• Appearance: /
• Density: 1.304g/cm³
• Vapor Pressure: 5.12E-05mmHg at 25°C
• Refractive Index: 1.663
• CAS DataBase Reference: BENZOTHIAZOLE, 2-(2-FLUOROPHENYL)-(CAS DataBase Reference)
• NIST Chemistry Reference: BENZOTHIAZOLE, 2-(2-FLUOROPHENYL)-(1747-46-2)
• EPA Substance Registry System: BENZOTHIAZOLE, 2-(2-FLUOROPHENYL)-(1747-46-2)

Safety Data

• Hazardous Substances Data: 1747-46-2(Hazardous Substances Data)

Usage

General Description

Benzothiazole, 2-(2-fluorophenyl)- is a chemical compound with the molecular formula C14H9NSF. It is a fluorine-substituted derivative of benzothiazole, which is a heterocyclic aromatic compound containing both sulfur and nitrogen atoms in its ring structure. This particular derivative is often used in the production of pharmaceuticals, agrochemicals, and other organic compounds. It is known for its diverse range of applications, including its use as a building block in the synthesis of other organic compounds, as well as its potential use as a drug or pesticide. The presence of the fluorine group in this compound can alter its chemical and physical properties, making it useful for specific applications in various industries.

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

Upstream product

• 2027-54-5 2-fluoro-N-phenyl-thiobenzamide 
• 1629-20-5 2-Chlor-N-(2-fluor-thiobenzoyl)-anilin 
• 394-47-8 2-fluorobenzonitrile 
• 137-07-5 2-amino-benzenethiol 
• 446-52-6 2-Fluorobenzaldehyde 
• 1391062-84-2 C₁₃H₁₀FNS 
• 95-16-9 1,3-Benzothiazole 
• 79477-86-4 2-fluorophenylglyoxylic acid 
• 89-99-6 2-fluorobenzylamine 
• 389-31-1 2-fluoromandelic acid 
• 883-93-2 2-Phenylbenzothiazole 
• 376605-69-5 C₁₃H₁₁FIN 
• 615-43-0 2-iodophenylamine 
• 1034926-54-9 bis(2-fluorophenyl)iodonium tetrafluoroborate 

Downstream Products

• 1440999-80-3 2-(benzo[d]thiazol-2-yl)-3-fluorophenyl acetate 
• 1454287-69-4 (2-(benzo[d]thiazol-2-yl)-3-fluorophenyl)(phenyl)methanone 
• 152993-87-8 2-(2,6-difluorophenyl)-1,3-benzothiazole 

Relevant articles and documents

The Construction of C-N, C-O, and C(sp2)-C(sp3) Bonds from Fluorine-Substituted 2-Aryl Benzazoles for Direct Synthesis of N-, O-, C-Functionalized 2-Aryl Benzazole Derivatives

Herein, a general and practical route to 2-(2-aminophenyl)- and 2-(2-alkoxyphenyl)-substituted benzazoles by nucleophilic aromatic substitution (SNAr) is described. Upon treatment with Cs2CO3, the formation of C-N, C-O bonds occur between fluorine-substituted 2-aryl benzazoles and a diverse range of nitrogen, oxygen nucleophiles to provide the targets in good to excellent yields. Commercially available nucleophiles and high atom economy are notable features of the protocol. Meanwhile, the construction of C(sp2)-C(sp3) bond was also furnished in the presence of palladium catalyst.

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).

KOtBu-Promoted Halogen-Bond-Assisted Intramolecular C-S Cross-Coupling of o-Iodothioanilides for the Synthesis of 2-Substituted Benzothiazoles

An efficacious and mild KOtBu-promoted intramolecular C-S cross-coupling of ortho-iodothioanilides in conjunction with a catalytic quantity of phenanthroline as an additive has been described for the convenient synthesis of 2-substituted benzothiazoles. The methodology is suitable for attaining a wide variety of 2-alkyl- and 2-aryl-substituted benzothiazoles. Single-crystal XRD, DFT calculations, NMR, and UV studies suggest that halogen bonds between the units of ortho-iodothioanilides may assist in the electron transfer process.