191327-86-3 | 1-Boc-4-ethynyl-4-fluoropiperidine

CAS:191327-86-3 | 1-Boc-4-ethynyl-4-fluoropiperidine,Description

Tert-butyl 4-ethynyl-4-fluoropiperidine-1-carboxylate, also known as 1-Boc-4-ethynyl-4-fluoropiperidine, is a chemical compound with the molecular formula C12H18FNO2 and a molecular weight of 227.28. It is used in various fields of research and development.

Molecular Structure Analysis

The InChI code for Tert-butyl 4-ethynyl-4-fluoropiperidine-1-carboxylate is 1S/C12H18FNO2/c1-5-12(13)6-8-14(9-7-12)10(15)16-11(2,3)4/h1H,6-9H2,2-4H3. This code provides a standard way to encode the compound’s molecular structure and can be used to generate a visual representation of the molecule.

Physical And Chemical Properties Analysis

Tert-butyl 4-ethynyl-4-fluoropiperidine-1-carboxylate is a solid at room temperature. It should be stored in a dry environment at 2-8°C. More specific physical and chemical properties such as melting point, boiling point, and solubility are not provided in the available resources.

Scientific Research Applications

• Synthesis of Novel Piperidine Compounds : Harmsen et al. (2011) described the synthesis of tert-butyl trans-4-ethynyl-3-hydroxypiperidine-1-carboxylate, highlighting its potential as a new scaffold for the preparation of substituted piperidines. This compound is specifically utilized for converting the terminal alkyne into 1,4- and 1,5-disubstituted 1,2,3-triazoles through 1,3-dipolar cycloaddition reactions with organic azides (Harmsen, Sydnes, Törnroos, & Haug, 2011).
• Intermediate in Anticancer Drug Synthesis : Zhao et al. (2017) established a rapid synthetic method for an intermediate compound that plays a crucial role in synthesizing omisertinib (AZD9291), a drug with significant biomedical applications. This synthesis route involves acylation, nucleophilic substitution, and reduction steps, starting from a commercially available compound closely related to tert-butyl 4-ethynyl-4-fluoropiperidine-1-carboxylate (Zhao, Guo, Lan, & Xu, 2017).
• Metabolic Studies : Yoo et al. (2008) investigated the in vitro metabolism of a compound closely related to tert-butyl 4-ethynyl-4-fluoropiperidine-1-carboxylate, emphasizing its relevance in the study of enzyme-mediated metabolic processes in pharmaceutical research (Yoo, Chung, Lee, Lee, Kang, & Kim, 2008).
• Synthesis of Antitumor Intermediates : Zhang et al. (2018) focused on the synthesis of tert-butyl 4-formyl-3, 6-dihydropyridine-1(2H)-carboxylate, an important intermediate for small molecule anticancer drugs. This compound shares structural similarities with tert-butyl 4-ethynyl-4-fluoropiperidine-1-carboxylate and highlights its significance in the development of novel anticancer therapeutics (Zhang, Ye, Xu, & Xu, 2018).

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