766473-89-6

Basic information

• Product Name: 2-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID
• Synonyms: BUTTPARK 144\07-20;2-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID;3-Carboxy-2-iodobenzotrifluoride, 3-Carboxy-2-iodo-alpha,alpha,alpha-trifluorotoluene
• CAS NO: 766473-89-6
• Molecular Formula: C₈H₄F₃IO₂
• Molecular Weight: 316.02
• Mol File: 766473-89-6.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 307.8±42.0 °C(Predicted)
• Appearance: /
• Density: 2.005±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• PKA: 2.43±0.10(Predicted)
• CAS DataBase Reference: 2-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID(766473-89-6)
• EPA Substance Registry System: 2-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID(766473-89-6)

Safety Data

• Hazardous Substances Data: 766473-89-6(Hazardous Substances Data)

Usage

General Description

2-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID is a chemical compound with the molecular formula C8H5F3IO2. It is a derivative of benzoic acid, with an iodo group and a trifluoromethyl group attached to the aromatic ring. 2-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also used in organic synthesis as a building block for creating various chemical compounds. Additionally, 2-IODO-3-(TRIFLUOROMETHYL)BENZOIC ACID has been studied for its potential biological and pharmacological activities, making it a versatile and important compound in scientific research and industrial applications.

Upstream product

• 313-12-2 2-amino-3-(trifluoromethyl)benzoic acid 

Downstream Products

• 1261827-54-6 methyl 3-trifluoromethyl-2-iodobenzoate 
• 454-92-2 3-(trifluoromethyl)benzoic acid 
• 1035261-45-0 ethyl 2-(3,3,3-triethoxyprop-1-ynyl)-3-(trifluoromethyl)phenylacetate 
• 1035261-43-8 ethyl 2-(2-iodo-3-(trifluoromethyl)phenyl)acetate 
• 1415764-02-1 (4S,5S)-2-(3-(trifluoromethyl)-2-iodophenyl)-4,5-dihydro-4-methyl-5-phenyloxazole 
• 1345961-26-3 2-iodo-N-[(S)-{(S)-1-methylpiperidin-2-yl}(phenyl)methyl]3-(trifluoromethyl)benzamide 
• 1345961-24-1 N-[(S)-{(S)-1-allylpiperidin-2-yl}(phenyl)methyl]-2-iodo 3-(trifluoromethyl)benzamide 

Relevant articles and documents

Synthesis and structure-activity relationships of new 2-phenoxybenzamides with antiplasmodial activity

The 2-phenoxybenzamide 1 from the Medicines for Malaria Venture Malaria Box Project has shown promising multi-stage activity against different strains of P. falciparum. It was successfully synthesized via a retrosynthetic approach. Subsequently, twenty-one new derivatives were prepared and tested for their in vitro activity against blood stages of the NF54 strain of P. falciparum. Several insights into structure-activity relationships were revealed. The antiplasmodial activity and cytotoxicity of compounds strongly depended on the substitution pattern of the anilino partial structure as well as on the size of substituents. The diaryl ether partial structure had further impacts on the activity. Additionally, several physicochemical and pharmacokinetic parameters were calculated (log P, log D7.4 and ligand efficiency) or determined experimentally (passive permeability and CYP3A4 inhibition). The tert-butyl-4-{4-[2-(4-fluorophenoxy)-3-(trifluoromethyl)benzamido]phenyl}piperazine-1-carboxylate possesses high antiplasmodial activity against P. falciparum NF54 (PfNF54 IC50 = 0.2690 μM) and very low cytotoxicity (L-6 cells IC50 = 124.0 μM) resulting in an excellent selectivity index of 460. Compared to the lead structure 1 the antiplasmodial activity was improved as well as the physicochemical and some pharmacokinetic parameters.

Catalytic enantioselective α-tosyloxylation of ketones using iodoaryloxazoline catalysts: Insights on the stereoinduction process

A family of iodooxazoline catalysts was developed to promote the iodine(III)-mediated α-tosyloxylation of ketone derivatives. The α-tosyloxy ketones produced are polyvalent chiral synthons. Through this study, we have unearthed a unique mode of stereoinduction from the chiral oxazoline moiety, where the stereogenic center alpha to the oxazoline oxygen atom is significant. Computational chemistry was used to rationalize the stereoinduction process. The catalysts presented promote currently among the best levels of activity and selectivity for this transformation. Evaluation of the scope of the reaction is presented.

NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF

Compounds of Formula (I) and Formula (II) are useful as inhibitors of HIF prolyl hydroxylases. Compounds of Formula(I) and Formula (II) have the following structures, where the definitions of the variables are provided herein.