Category: 723294-74-4

Computed Properties of C7H4FIO2On November 26, 2012 ,《Orally Active Metabotropic Glutamate Subtype 2 Receptor Positive Allosteric Modulators: Structure-Activity Relationships and Assessment in a Rat Model of Nicotine Dependence》 appeared in Journal of Medicinal Chemistry. The author of the article were Sidique, Shyama; Dhanya, Raveendra-Panickar; Sheffler, Douglas J.; Nickols, Hilary Highfield; Yang, Li; Dahl, Russell; Mangravita-Novo, Arianna; Smith, Layton H.; D’Souza, Manoranjan S.; Semenova, Svetlana; Conn, P. Jeffrey; Markou, Athina; Cosford, Nicholas D. P.. The article conveys some information:

Compounds that modulate metabotropic glutamate subtype 2 (mGlu2) receptors have the potential to treat several disorders of the central nervous system (CNS) including drug dependence. Herein the authors describe the synthesis and structure-activity relationship (SAR) studies around a series of mGlu2 receptor pos. allosteric modulators (PAMs). The effects of N-substitution and substitutions on the aryl ring were identified as key areas for SAR exploration. Investigation of the effects of varying substituents in both the isoindolinone (I) and benzisothiazolone (II) series led to compounds with improved in vitro potency and/or efficacy. In addition, several analogs exhibited promising pharmacokinetic (PK) properties. Furthermore, compound I was shown to dose-dependently decrease nicotine self-administration in rats following oral administration. Our data, showing for the first time efficacy of an mGlu2 receptor PAM in this in vivo model, suggest potential utility for the treatment of nicotine dependence in humans. The results came from multiple reactions, including the reaction of 5-Fluoro-3-iodobenzoic acid(cas: 723294-74-4Computed Properties of C7H4FIO2)

5-Fluoro-3-iodobenzoic acid(cas: 723294-74-4) belongs to organic iodides. The carbon-iodine bond is weaker than other carbon-halogen bonds due to the poor electronegative nature of the iodine atom. Alkyl iodides react at a faster rate than alkyl fluorides due to the weak C-I bond.Computed Properties of C7H4FIO2

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Synthetic Route of C7H4FIO2On March 18, 2022, Lexa, Katrina W.; Belyk, Kevin M.; Henle, Jeremy; Xiang, Bangping; Sheridan, Robert P.; Denmark, Scott E.; Ruck, Rebecca T.; Sherer, Edward C. published an article in Organic Process Research & Development. The article was 《Application of machine learning and reaction optimization for the iterative improvement of enantioselectivity of cinchona-derived phase transfer catalysts》. The article mentions the following:

An investigation of several methods for modeling a catalyst system with a large training set was undertaken. The synthesis of drug letermovir involved a key conjugate addition that was promoted asym. by a cinchonidine-derived “”bis-quat”” phase transfer catalyst. An initial data set acquired from 177 catalysts was used to drive five addnl. rounds of optimization based on machine learning approaches. For this specific data set, random forest with 2D mol. descriptors outperformed all other 2D methods tested, alternative descriptor combinations and 3D based approaches. Improvement in model performance was observed over time, and a high throughput approach to synthesis of new catalysts was key to iterating through larger rounds of optimization. Optimizing reaction conditions for one of best catalysts identified during machine learning work led to improvement of enantioselectivity to 89%. In the experiment, the researchers used many compounds, for example, 5-Fluoro-3-iodobenzoic acid(cas: 723294-74-4Synthetic Route of C7H4FIO2)

5-Fluoro-3-iodobenzoic acid(cas: 723294-74-4) belongs to organic iodides. Generally organic iodides can be divided into two classes of alkyl iodides and aryl iodides. Typical reactions of alkyl iodides include nucleophilic substitution, elimination, reduction, and the formation of organometallics.Synthetic Route of C7H4FIO2Halogenation of aromatic hydrocarbons is a very important reaction via an electrophilic aromatic substitution.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com