N-[(1R,2S,5S)-2-Amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamic acid 1,1-dimethylethyl ester ethanedioate hydrate (1:1:1)
[CAS# 1353893-22-7]

Identification

• Classification: Organic raw materials >> Carboxylic compounds and derivatives >> Salt of carboxylic acid ester and its derivatives
• Name: N-[(1R,2S,5S)-2-Amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamic acid 1,1-dimethylethyl ester ethanedioate hydrate (1:1:1)
• Synonyms: tert-butyl ((1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate oxalate hydrate
• Molecular Formula: C₁₄H₂₇N₃O₃.C₂H₂O₄.H₂O
• Molecular Weight: 393.43
• CAS Registry Number: 1353893-22-7
• SMILES: CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C.C(=O)(C(=O)O)O.O

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P261-P305+P351+P338

Discovery and Applications

N-[(1R,2S,5S)-2-Amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamic acid 1,1-dimethylethyl ester ethanedioate hydrate (1:1:1) is a complex chemical compound that has emerged as a topic of interest in the fields of medicinal chemistry and drug development. This compound is part of a broader class of cyclohexyl-based carbamic acid derivatives, which have been studied for their potential biological activities and utility in various therapeutic areas. The molecule’s unique structural features include an amino group, a dimethylamino group, and a carbamate ester, all of which contribute to its reactivity and potential for medicinal applications.

The discovery of N-[(1R,2S,5S)-2-Amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamic acid 1,1-dimethylethyl ester ethanedioate hydrate (1:1:1) was driven by efforts to design compounds that could act on specific targets within the human body, particularly within the central nervous system. The compound's core structure, a cyclohexane ring with substituted functional groups, makes it a valuable candidate for studying interactions with neurotransmitter receptors or enzymes involved in neurological diseases.

The compound is synthesized through a multi-step process involving the functionalization of the cyclohexyl ring. Key modifications include the introduction of the dimethylamino group, which enhances the compound’s solubility and its ability to interact with biological targets. Additionally, the ester group increases the compound’s stability and bioavailability, allowing it to remain active in the body for longer periods. The ethanedioate hydrate component of the compound likely plays a role in its solubility and storage stability, making it easier to handle in laboratory and industrial settings.

In terms of applications, N-[(1R,2S,5S)-2-Amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamic acid 1,1-dimethylethyl ester ethanedioate hydrate (1:1:1) shows promise as a pharmacological agent. Its structure suggests potential for use as a central nervous system (CNS) agent, possibly interacting with neurotransmitter pathways to treat conditions such as depression, anxiety, or neurological disorders like Alzheimer's disease. The compound may also serve as a scaffold for the development of more selective drugs targeting specific receptors or enzymes involved in these diseases. Research into its pharmacokinetics, toxicity, and efficacy is ongoing to better understand its potential as a therapeutic agent.

In addition to its therapeutic applications, the compound's ability to undergo chemical modifications makes it valuable in the development of more specialized molecules for research purposes. Its functional groups provide versatile points for further attachment of various moieties, allowing for the creation of targeted drug delivery systems or molecular probes for use in diagnostics.

The compound’s role in drug discovery reflects a growing interest in cyclohexane-based compounds for their potential to modulate complex biological systems. As research into its properties continues, N-[(1R,2S,5S)-2-Amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamic acid 1,1-dimethylethyl ester ethanedioate hydrate (1:1:1) may find increasing utility in the design of novel drugs and therapeutic approaches to treat a range of medical conditions.

References

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