• 1. Evidence of CO2 molecule acting as an electron acceptor on a nanoporous metal–organic-framework MIL-53 or Cr3+(OH)(O2C–C6H4–CO2)?
  Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
• 2. Distributed research: a new paradigm for undergraduate research and global problem solving?
  Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
• 3. Evidence for the intrinsic nature of band-gap states electrochemically observed on atomically flat TiO2(110) surfaces?
  Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
• 4. Fe3O4 nanoclusters highly dispersed on a porous graphene support as an additive for improving the hydrogen storage properties of LiBH4?
  Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
• 5. Exciplex emission from the mixed dimer of naphthalene and 2-cyanonaphthalene in a supersonic jet
  Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168

Comprehensive Guide to tert-butyl cis-N-[4-(methylamino)cyclohexyl]carbamate (CAS No. 883864-61-7): Properties, Applications, and Industry Insights

In the ever-evolving landscape of pharmaceutical and organic chemistry, tert-butyl cis-N-[4-(methylamino)cyclohexyl]carbamate (CAS No. 883864-61-7) has emerged as a compound of significant interest. This carbamate derivative is widely recognized for its unique structural properties and potential applications in drug discovery and development. Researchers and industry professionals are increasingly exploring its utility as a building block for synthesizing more complex molecules, particularly in the realm of small-molecule therapeutics.

The molecular structure of tert-butyl cis-N-[4-(methylamino)cyclohexyl]carbamate features a cyclohexyl ring with both methylamino and tert-butoxycarbonyl (Boc) functional groups. This combination offers exceptional versatility in organic synthesis, making it valuable for peptide coupling, protecting group strategies, and chiral synthesis. Recent studies highlight its role in developing kinase inhibitors and GPCR-targeted compounds, aligning with current trends in precision medicine.

One of the most searched questions in scientific forums revolves around the stereochemistry of this compound. The cis-configuration of tert-butyl cis-N-[4-(methylamino)cyclohexyl]carbamate is critical for its biological activity, as it influences molecular interactions with target proteins. This aspect is particularly relevant in structure-activity relationship (SAR) studies, a hot topic in AI-driven drug design platforms. Computational chemists frequently investigate its conformational stability using molecular docking simulations.

From an industrial perspective, the synthesis of CAS No. 883864-61-7 often involves reductive amination of corresponding ketones followed by Boc protection. Manufacturers emphasize optimizing atom economy and green chemistry principles—key concerns in modern process chemistry. The compound’s solubility profile (typically in polar aprotic solvents) makes it suitable for high-throughput screening applications, another trending topic in pharmaceutical R&D.

Analytical characterization of tert-butyl cis-N-[4-(methylamino)cyclohexyl]carbamate typically employs HPLC purity analysis, mass spectrometry, and NMR spectroscopy. These techniques verify the critical regioselectivity and enantiomeric excess required for pharmaceutical use. Recent advancements in continuous flow chemistry have also been applied to its production, addressing growing demand for scalable synthetic methods.

In regulatory contexts, proper handling of 883864-61-7 requires standard laboratory precautions, though it doesn’t fall under restricted categories. Safety data sheets emphasize proper ventilation and PPE usage, reflecting broader industry shifts toward occupational health awareness. Storage recommendations typically suggest inert atmosphere conditions to preserve the Boc group’s integrity—a frequent discussion point in chemical storage forums.

The commercial availability of tert-butyl cis-N-[4-(methylamino)cyclohexyl]carbamate through specialty chemical suppliers has expanded significantly, driven by its applications in medicinal chemistry and bioconjugation. Pricing trends often correlate with pharmaceutical outsourcing volumes, a sector experiencing double-digit growth according to recent market reports. Many suppliers now provide custom synthesis services for derivatives, catering to the rise of fragment-based drug discovery.

Emerging research explores the compound’s potential in PROTAC technology and targeted protein degradation—two groundbreaking areas in therapeutic development. Its secondary amine functionality serves as an ideal attachment point for E3 ligase ligands, making it valuable for designing bifunctional molecules. These applications position CAS 883864-61-7 at the forefront of next-generation therapeutics innovation.

For researchers investigating blood-brain barrier penetration or CNS drug delivery, the logP value and hydrogen bonding capacity of this carbamate derivative provide valuable insights. Computational models frequently incorporate these parameters when predicting drug-likeness, a crucial consideration in preclinical development pipelines. The compound’s metabolic stability profiles are also actively studied using hepatocyte assays.

As the pharmaceutical industry increasingly adopts machine learning for compound screening, structural analogs of tert-butyl cis-N-[4-(methylamino)cyclohexyl]carbamate appear in numerous cheminformatics databases. Its molecular descriptors contribute to training algorithms for property prediction, demonstrating the compound’s relevance in digital chemistry initiatives. Several open-source drug discovery projects have included derivatives in their benchmarking sets.

Looking ahead, the demand for chiral building blocks like 883864-61-7 is projected to grow alongside advancements in asymmetric synthesis techniques. Its compatibility with microwave-assisted reactions and photocatalysis—both trending topics in synthetic methodology—further enhances its utility. Industry conferences increasingly feature discussions about optimizing routes to such pharmacophores, reflecting their strategic importance.

In conclusion, tert-butyl cis-N-[4-(methylamino)cyclohexyl]carbamate represents a versatile tool in modern chemical research, bridging traditional synthesis with cutting-edge therapeutic approaches. Its ongoing applications across drug discovery, chemical biology, and materials science ensure its continued relevance in scientific innovation. As research methodologies evolve, this compound will likely maintain its status as a valuable asset in the chemist’s toolkit.

• 177906-48-8(tert-butyl trans-N-(4-aminocyclohexyl)carbamate)
• 247570-24-7(tert-butyl cis-N-(4-aminocyclohexyl)carbamate)
• 339195-19-6(n-(tert-butoxycarbonyl)aminoferrocene)
• 153789-22-1(tert-butyl N-cyclopentylcarbamate)
• 179412-96-5(tert-butyl N-(5-hydroxypentan-2-yl)carbamate)
• 509143-12-8(tert-butyl N-[cis-4-(2-aminoethyl)cyclohexyl]carbamate)
• 3712-40-1(tert-Butyl N-Cyclohexylcarbamate)
• 347186-01-0(tert-butyl N-(3-aminocyclohexyl)carbamate)
• 195314-59-1(tert-butyl N-(4-aminocyclohexyl)carbamate)
• 167421-84-3(Carbamic acid,[(1R)-1,3-dimethylbutyl]-, 1,1-dimethylethyl ester (9CI))