2740-85-4

Basic information

• Product Name: 1-(isothiocyanatomethyl)-3-(trifluoromethyl)benzene
• Synonyms: 1-(isothiocyanatomethyl)-3-(trifluoromethyl)benzene
• CAS NO: 2740-85-4
• Molecular Formula: C₉H₆F₃NS
• Molecular Weight: 217.2108496
• Mol File: 2740-85-4.mol
• Article Data: 9

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-(isothiocyanatomethyl)-3-(trifluoromethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(isothiocyanatomethyl)-3-(trifluoromethyl)benzene(2740-85-4)
• EPA Substance Registry System: 1-(isothiocyanatomethyl)-3-(trifluoromethyl)benzene(2740-85-4)

Safety Data

• Hazardous Substances Data: 2740-85-4(Hazardous Substances Data)

Usage

Chemical structure

A benzene ring with a trifluoromethyl group (-CF3) at the 3rd position and an isothiocyanate group (-N=C=S) attached to the 1st position.

Functional groups

Trifluoromethyl (-CF3) and isothiocyanate (-N=C=S)

Type of compound

Benzene derivative

Applications

a. Organic synthesis
b. Pharmaceutical research

Chemical reactivity

a. Nucleophilic substitution
b. Cross-coupling reactions

Importance in pharmaceuticals and agrochemicals

The trifluoromethyl group makes it a valuable building block for the synthesis of these compounds.

Biological activity

a. Potential anticancer properties
b. Potential antimicrobial properties

Research interest

The isothiocyanate moiety has been investigated for its potential applications in medicinal chemistry.

Upstream product

• 2740-83-2 3-(TRIFLUOROMETHYL)BENZYLAMINE 
• 463-71-8 thiophosgene 
• 96989-50-3 di-2-pyridyl thionocarbonate 

Downstream Products

• 61290-79-7 1-(2-Hydroxy-ethyl)-1-methyl-3-(3-trifluoromethyl-benzyl)-thiourea 
• 5777-57-1 1-(4,5-dihydro-thiazol-2-yl)-1,3-bis-(3-trifluoromethyl-benzyl)-thiourea 
• 61290-47-9 1-(2-Hydroxy-ethyl)-3-(3-trifluoromethyl-benzyl)-thiourea 

Relevant articles and documents

Discovery and optimization of 4-oxo-2-thioxo-thiazolidinones as NOD-like receptor (NLR) family, pyrin domain-containing protein 3 (NLRP3) inhibitors

Aberrant activation of NLRP3 inflammasome is present in a subset of acute and chronic inflammatory diseases. The NLRP3 inflammasome has been recognized as an attractive therapeutic target for developing novel and specific anti-inflammatory inhibitors. Cellular structure-activity relationship-guided optimization resulted in the identification of 4-oxo-2-thioxo-thiazolidinone derivative 9 as a selective and direct small-molecule inhibitor of NLRP3 with IC50 of 2.4 μM, possessing favorable ex vivo and in vivo pharmacokinetic properties. Compound 9 may represent a lead for the development of anti-inflammatory therapeutics for treating NLRP3-driven diseases.

Thiazolinone heterocyclic compound, preparation method, medicinal composition and application thereof

The invention provides a thiazolinone heterocyclic compound, a preparation method, a medicinal composition and an application thereof. The invention provides an application of the thiazolinone heterocyclic compound in preparation of an NLRP3 inflammasome inhibitor. The thiazolinone heterocyclic compound has a structure as a formula I or an isomer, a prodrug, or a pharmaceutically acceptable solvate or salt thereof.

Novel selective thiadiazine DYRK1A inhibitor lead scaffold with human pancreatic β-cell proliferation activity

The Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase 1A (DYRK1A) is an enzyme that has been implicated as an important drug target in various therapeutic areas, including neurological disorders (Down syndrome, Alzheimer's disease), oncology, and