1593969-81-3 | N-[(3S,5S)-5-fluoro-3-piperidinyl]-, 1,1-dimethylethyl ester

CAS:1593969-81-3 | N-[(3S,5S)-5-fluoro-3-piperidinyl]-, 1,1-dimethylethyl ester,Description

“tert-butyl N-[(3S,5S)-5-fluoropiperidin-3-yl]carbamate” is a chemical compound with the CAS Number: 1593969-81-3. It has a molecular weight of 218.27. The compound is stored in an inert atmosphere at a temperature between 2-8°C.

Molecular Structure Analysis

The InChI code for this compound is 1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-4-7(11)5-12-6-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m0/s1. This code provides a detailed description of the molecule’s structure.

Physical And Chemical Properties Analysis

This compound is a solid at room temperature. It is stored in an inert atmosphere at a temperature between 2-8°C.

Scientific Research Applications

Crystal Structure and Molecular Interactions

• Isomorphous Crystal Structures : Tert-butyl carbamates form a family of compounds with unique crystal structures, involving simultaneous hydrogen and halogen bonds on the carbonyl group. This property is significant for understanding molecular interactions and designing materials with specific crystallographic features (Baillargeon et al., 2017).

Synthesis and Intermediates in Drug Development

• Synthesis of Biologically Active Compounds : Tert-butyl carbamates serve as intermediates in synthesizing compounds like omisertinib (AZD9291), highlighting their role in developing biologically active substances (Zhao et al., 2017).

Chemical Reactions and Transformations

• Chemoselective Transformations : These compounds are involved in chemoselective transformations, such as the conversion of N-tert-butoxycarbonyl (Boc) groups, indicating their utility in synthetic chemistry (Sakaitani & Ohfune, 1990).

Photoredox Catalysis

• Photoredox-Catalyzed Reactions : Tert-butyl carbamates are used in photoredox-catalyzed reactions, demonstrating their applicability in advanced synthetic methodologies (Wang et al., 2022).

Synthesis of Cyclohexane Derivatives

• Preparation of Cyclohexane Carboxamides : These compounds are key intermediates in synthesizing cyclohexane derivatives, such as factor Xa inhibitors, emphasizing their importance in medicinal chemistry (Wang et al., 2017).

Structural Characterization

• X-ray Diffraction Studies : Tert-butyl carbamates are subject to structural analysis through X-ray diffraction, which is crucial for understanding their molecular geometry and potential applications (Kant et al., 2015).

Mild Conditions for Synthesis

• Synthesis under Mild Conditions : The synthesis of these compounds can be achieved under relatively mild conditions, making them suitable for various chemical synthesis applications (Alker et al., 1997).

Safety And Hazards

The compound has been classified with the signal word “Warning” and has hazard statements H317-H319. Precautionary measures include avoiding breathing dust/fume/gas/mist/vapours/spray (P261), washing hands thoroughly after handling (P264), and using only outdoors or in a well-ventilated area (P271).

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