161320-00-9

Usage

Uses

Used in Chemical Synthesis:
4-Iodo-3-(trifluoromethyl)benzonitrile is used as a starting compound for the synthesis of more complex structures, due to its unique combination of functional groups.
Used in Pharmaceutical Research:
4-Iodo-3-(trifluoromethyl)benzonitrile is used as an intermediate in organic synthesis, contributing to the development of new pharmaceutical compounds.
Used in Advanced Chemical Research and Development:
4-Iodo-3-(trifluoromethyl)benzonitrile is used as a crucial component in advanced chemical research and development, benefiting from its high molecular weight and stable aromatic ring structure.
Safety and Disposal:
Careful handling is advised for 4-Iodo-3-(trifluoromethyl)benzonitrile, including instructions for safety and disposal, to ensure the safe management of this specialized chemical compound.

InChI:InChI=1/C8H3F3IN/c9-8(10,11)6-3-5(4-13)1-2-7(6)12/h1-3H

Upstream product

• 327-74-2 4-cyano-2-trifluoromethylaniline 
• 3058-39-7 4-iodobenzonitrile 
• 76-05-1 trifluoroacetic acid 
• 14353-88-9 iodopentafluorobenzene bis(trifluoroacetate) 
• 88-17-5 2-(trifluoromethyl)benzenamine 
• 445-02-3 4-bromo-2-trifluoromethyl-aniline 

Downstream Products

• 89803-71-4 2,2′-bis-trifluoromethyl-biphenyl-4,4′-dicarboxylic acid 

Relevant academic research and scientific papers

Dynamic Coordination Chemistry of Fluorinated Zr-MOFs: Synthetic Control and Reassembly/Disassembly Beyond de Novo Synthesis to Tune the Structure and Property

Known for excellent stability, porosity and functionality, the high-valent Zr4+ metal–organic frameworks (Zr-MOFs) still meets synthetic challenge in modulating the strength of Zr-Ocarboxylate linkage. Herein we explore the unusual coordination dynamics of fluorinated Zr-MOFs by designing two trifluoromethyl modified ligands with distinct geometry preference to form a family of thermodynamic and kinetic products. The low-connecting kinetic Zr-MOFs possess substitutable coordination sites to endow Zr6-cluster with extra dynamic behaviors, thus opening a post-synthetic pathway to sequential reassembly/disassembly processes. Comprehensive factors, including ligand geometry, Zr6-cluster connectivity, acid modulator and reaction temperature/concentration, have been studied for controllable syntheses. The stability, hydrophobicity and gas adsorption/separation properties of obtained Zr-MOFs are explored. This work sheds light on the understanding of the dynamic coordination chemistry of Zr-MOFs beyond strong Zr?O bond, which poses a versatile platform for modification and functionalization of Zr-MOFs.

Synthesis, characterization and hydrolysis of aromatic polyazomethines containing non-coplanar biphenyl structures

New polyazomethines containing electron-withdrawing trifluoromethyl group and non-coplanar biphenyl structures were prepared at room temperature under reduced pressure. It was found that these polyazomethines would undergo hydrolysis in DMSO solution at temperature higher than 50 °C. The hydrolysis, evidenced by 1H NMR spectra and GPC chromatograms, was resulted from the reverse reaction of azomethine formation and was facilitated at higher temperature. The GPC results also suggested that post-polymerization would be possible if polyazomethine films were heated at elevated temperature (200 °C) under reduced pressure (0.27 torr). The HOMO (-5.69 to -5.96 eV) and LUMO (-3.04 to -3.18 eV) energy levels of the new polyazomethines are much lower than those of other polyazomethines. Combined with the excellent solubility and good thermal stability, non-coplanar biphenyl structure containing electron-withdrawing trifluoromethyl group could be a new candidate as electron acceptor for the structure design of new conjugated polymers.

Precise Modulation of the Breathing Behavior and Pore Surface in Zr-MOFs by Reversible Post-Synthetic Variable-Spacer Installation to Fine-Tune the Expansion Magnitude and Sorption Properties

To combine flexibility and modifiability towards a more controllable complexity of MOFs, a post-synthetic variable-spacer installation (PVSI) strategy is used to implement kinetic installation/ uninstallation of secondary ligands into/from a robust yet flexible proto-Zr-MOF. This PVSI process features precise positioning of spacers with different length, size, number, and functionality, enabling accurate fixation of successive breathing stages and fine-tuning of pore surface. It shows unprecedented synthetic tailorability to create complicated MOFs in a predictable way for property modification, for example, CO2and R22 adsorption/separation, thermal/chemical stability, and extended breathing behavior.

New evidence supporting the mechanism of Gilch polymerization from an extremely twisted biphenyl monomer

A p-biquinodimethane species formed during the Gilch polymerization of an extremely twisted biphenyl monomer has been identified by in situ 1H-NMR spectroscopy for the first time. From the identification of chain ends, we conclude that the chain growth during Gilch polymerization of biphenyl type monomers is both radical and anionic in nature.

Highly Chemically Stable MOFs with Trifluoromethyl Groups: Effect of Position of Trifluoromethyl Groups on Chemical Stability

Metal-organic frameworks (MOFs) are a class of advanced porous crystalline materials. However, numerous MOFs have poor chemical stability, significantly restricting their industrial application. The introduction of trifluoromethyl groups around clusters o

Visible-Light photoredox decarboxylation of perfluoroarene iodine(III) Trifluoroacetates for C-H trifluoromethylation of (Hetero)arenes

A scalable and operationally simple decarboxylative trifluoromethylation of (hetero)arenes with easily accessible C6F5I(OCOCF3)2 under photoredox catalysis has been developed. This method is tolerant of various (hetero)arenes and functional groups. Notably, C6F5I is recycled from the decarboxylation reaction and further used for the preparation of C6F5I(OCOCF3)2. The combination of photoredox catalysis and hypervalent iodine reagent provides a practical approach for the application of trifluoroacetic acid in trifluoromethylation reactions.

Tunability of fluorescent metal-organic frameworks through dynamic spacer installation with multivariate fluorophores

Through dynamic spacer installation, five fluorescent metal-organic frameworks (MOFs) have been constructed based on a proto-MOF LIFM-28 and multivariate ligands as fluorophores. The emissions are tunable via insertion of fluorescent ligands, demonstrating a versatile approach for luminescence tuning by virtue of dynamic spacer installation using swing-role MOFs.

Discovery of 5-(2-chloro-4′-(1H-imidazol-1-yl)-[1,1′-biphenyl]-4-yl)-1H-tetrazole as potent and orally efficacious S-nitrosoglutathione reductase (GSNOR) inhibitors for the potential treatment of COPD

Endogenous nitrosothiols (SNOs) including S-nitrosoglutathione (GSNO) serve as reservoir for bioavailable nitric oxide (NO) and mediate NO-based signaling, inflammatory status and smooth muscle function in the lung. GSNOR inhibition increases pulmonary GS

Photoinduced Charge-Transfer State of 4-Carbazolyl-3-(trifluoromethyl)benzoic Acid: Photophysical Property and Application to Reduction of Carbon?Halogen Bonds as a Sensitizer

The photoinduced persistent intramolecular charge-transfer state of 4-carbazolyl-3-(trifluoromethyl)benzoic acid was confirmed. It showed a higher catalytic activity in terms of yield and selectivity in the photochemical reduction of alkyl halides compared to the parent carbazole. Even unactivated primary alkyl bromides could be reduced by this photocatalyst. The high catalytic activity is rationalized by considering the slower backward single-electron transfer owing to the spatial separation of the donor and acceptor subunits.

As opioid receptor antagonists or inverse agonists of the novel compounds

Novel compounds which are antagonists or inverse agonists at one or more of the opioid receptors, pharmaceutical compositions containing them, to processes for their preparation.