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Chemical Compound CAS No. 1257106-39-0: (R)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanamine Hydrochloride

The compound with CAS No. 1257106-39-0, known as (R)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanamine hydrochloride, is a highly specialized chemical entity that has garnered significant attention in the fields of organic synthesis and pharmacology. This compound is notable for its unique structure, which incorporates a benzo[d][1,3]dioxole ring system substituted with a difluoro group at the 2-position and an ethanamine moiety at the 4-position. The hydrochloride salt form further enhances its stability and solubility properties, making it a valuable compound for various applications in drug discovery and development.

Recent studies have highlighted the potential of this compound as a modulator of cellular signaling pathways, particularly in the context of neurodegenerative diseases. The benzo[d][1,3]dioxole core is known to exhibit antioxidant properties, which may contribute to its protective effects against oxidative stress in neuronal cells. Furthermore, the presence of the difluoro substituent introduces additional electronic effects that can fine-tune the compound's interactions with biological targets, such as protein kinases or ion channels.

From a synthetic perspective, the preparation of (R)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanamine hydrochloride involves a multi-step process that combines principles from both classical organic chemistry and modern catalytic methodologies. The construction of the benzo[d][1,3]dioxole ring typically begins with the oxidation of a suitable dihydroxybenzene derivative under acidic conditions. Subsequent fluorination steps are carefully controlled to achieve the desired regioselectivity and stereochemistry at the 2-position. The introduction of the ethanamine group is often facilitated through nucleophilic substitution or coupling reactions, followed by acid-mediated salt formation to yield the final hydrochloride product.

In terms of pharmacokinetics, this compound demonstrates favorable absorption profiles in preclinical models, attributed to its balanced lipophilicity and polar surface area. Its ability to penetrate cellular membranes efficiently suggests potential utility in targeting intracellular therapeutic pathways. Additionally, preliminary toxicity studies indicate that this compound exhibits low cytotoxicity at therapeutically relevant concentrations, further supporting its suitability for drug development.

Recent advancements in computational chemistry have enabled researchers to perform detailed molecular docking studies on this compound. These studies have revealed potential binding affinities to key enzymes involved in inflammation and apoptosis regulation. For instance, molecular dynamics simulations suggest that the difluoro-substituted benzo[d][1,3]dioxole moiety may interact favorably with hydrophobic pockets within these enzymes, thereby modulating their activity.

Looking ahead, ongoing research is focused on optimizing the stereochemical purity of this compound to enhance its efficacy in vivo. The use of chiral resolution techniques and asymmetric synthesis methods is expected to play a pivotal role in achieving this goal. Furthermore, collaborative efforts between academic institutions and pharmaceutical companies are exploring its potential as a lead compound for developing novel therapeutics targeting chronic neurological disorders.

In conclusion, CAS No. 1257106-39-0 represents a promising chemical entity with multifaceted applications in drug discovery and development. Its unique structural features and favorable pharmacokinetic properties position it as a valuable tool for advancing our understanding of complex biological systems and for designing next-generation therapeutic agents.

• 1213203-92-9((R)-1-(2,2-Difluoro-benzo[1,3]dioxol-4-YL)-ethylamine)
• 531508-49-3(1,3-Benzodioxole-4-butanamine, 2,2-difluoro-)
• 2061996-63-0((S)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanamine hydrochloride)
• 531508-48-2(1,3-BENZODIOXOLE-4-PROPANAMINE, 2,2-DIFLUORO-)
• 1213579-51-1((1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine)
• 531508-47-1(2-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)ethan-1-amine)
• 531508-46-0((2,2-difluoro-2H-1,3-benzodioxol-4-yl)methanamine)
• 1213956-50-3((1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)propan-1-amine)
• 1212890-59-9((1R)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)propan-1-amine)
• 1213390-36-3((1S)-1-(2,2-DIFLUOROBENZO[D]1,3-DIOXOLEN-4-YL)ETHYLAMINE)