Cas no 1334416-43-1 (tert-butyl 4-(aMinoMethyl)-3-fluoro-4-Methylpiperidine-1-carboxylate)
tert-butyl 4-(aMinoMethyl)-3-fluoro-4-Methylpiperidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- tert-butyl 4-(aminomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate
- FCH1622650
- PC430131
- CID 122199560
- 1-Piperidinecarboxylic acid, 4-(aminomethyl)-3-fluoro-4-methyl-, 1,1-dimethylethyl ester
- tert-butyl 4-(aMinoMethyl)-3-fluoro-4-Methylpiperidine-1-carboxylate
-
- MDL: MFCD19686625
- Inchi: 1S/C12H23FN2O2/c1-11(2,3)17-10(16)15-6-5-12(4,8-14)9(13)7-15/h9H,5-8,14H2,1-4H3
- InChI Key: BLNPSYMDOPAVFG-UHFFFAOYSA-N
- SMILES: FC1CN(C(=O)OC(C)(C)C)CCC1(C)CN
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 291
- Topological Polar Surface Area: 55.6
Experimental Properties
- Density: 1.07±0.1 g/cm3(Predicted)
- Boiling Point: 312.4±27.0 °C(Predicted)
- pka: 10.13±0.29(Predicted)
tert-butyl 4-(aMinoMethyl)-3-fluoro-4-Methylpiperidine-1-carboxylate Customs Data
- HS CODE:2933399990
tert-butyl 4-(aMinoMethyl)-3-fluoro-4-Methylpiperidine-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D543731-500mg |
tert-butyl 4-(aminomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate |
1334416-43-1 | 95% | 500mg |
$2260 | 2024-05-24 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1578048-1g |
Tert-butyl 4-(aminomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate |
1334416-43-1 | 98% | 1g |
¥17824.00 | 2024-08-09 | |
| eNovation Chemicals LLC | D543731-500mg |
tert-butyl 4-(aminomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate |
1334416-43-1 | 95% | 500mg |
$2260 | 2025-02-21 | |
| eNovation Chemicals LLC | D543731-500mg |
tert-butyl 4-(aminomethyl)-3-fluoro-4-methylpiperidine-1-carboxylate |
1334416-43-1 | 95% | 500mg |
$2260 | 2025-02-24 |
tert-butyl 4-(aMinoMethyl)-3-fluoro-4-Methylpiperidine-1-carboxylate Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
Additional information on tert-butyl 4-(aMinoMethyl)-3-fluoro-4-Methylpiperidine-1-carboxylate
Introduction to Tert-butyl 4-(aMinoMethyl)-3-fluoro-4-Methylpiperidine-1-carboxylate (CAS No. 1334416-43-1)
Tert-butyl 4-(aMinoMethyl)-3-fluoro-4-methylpiperidine-1-carboxylate, identified by its CAS number 1334416-43-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical research and development. This compound belongs to the piperidine class of heterocyclic amines, which are widely recognized for their diverse biological activities and potential therapeutic applications. The unique structural features of this molecule, including the presence of a fluoro substituent and an aMinoMethyl side chain, contribute to its distinctive chemical properties and make it a valuable candidate for further investigation.
The synthesis and characterization of Tert-butyl 4-(aMinoMethyl)-3-fluoro-4-methylpiperidine-1-carboxylate involve sophisticated organic chemistry techniques that ensure high purity and yield. The introduction of the fluoro group at the 3-position of the piperidine ring enhances the metabolic stability and bioavailability of the compound, making it an attractive scaffold for drug design. Additionally, the aMinoMethyl side chain provides a site for further functionalization, allowing chemists to explore various derivatives with tailored biological activities.
In recent years, there has been a growing interest in developing novel therapeutic agents that target neurological disorders, infectious diseases, and cancer. Piperidine derivatives have shown promise in these areas due to their ability to interact with specific biological targets and modulate physiological processes. Tert-butyl 4-(aMinoMethyl)-3-fluoro-4-methylpiperidine-1-carboxylate is no exception, as it has demonstrated potential in preclinical studies as a precursor for kinase inhibitors and other pharmacologically active molecules.
The role of fluorine in pharmaceuticals is well-documented, with its ability to influence both the physical properties and biological efficacy of compounds. The fluoro substituent in Tert-butyl 4-(aMinoMethyl)-3-fluoro-4-methylpiperidine-1-carboxylate contributes to its lipophilicity and metabolic resistance, which are critical factors in drug development. Furthermore, the presence of a tertiary butyl group enhances the solubility and stability of the molecule, making it more suitable for formulation into drug products.
Recent advancements in computational chemistry have enabled researchers to predict the binding affinity and pharmacokinetic properties of small molecules with remarkable accuracy. These computational tools have been instrumental in designing derivatives of Tert-butyl 4-(aMinoMethyl)-3-fluoro-4-methylpiperidine-1-carboxylate that exhibit improved potency and selectivity. By leveraging machine learning algorithms and molecular docking studies, scientists can optimize the structure of this compound to enhance its therapeutic potential.
The pharmacological profile of Tert-butyl 4-(aMinoMethyl)-3-fluoro-4-methylpiperidine-1-carboxylate has been explored in several preclinical models. Initial studies suggest that this compound interacts with various enzymes and receptors involved in disease pathways, including kinases and G protein-coupled receptors (GPCRs). These interactions may lead to novel therapeutic strategies for conditions such as chronic pain, inflammation, and neurodegenerative diseases. Further research is needed to fully elucidate its mechanism of action and potential side effects.
The synthesis of Tert-butyl 4-(aMinoMethyl)-3-fluoro-4-methylpiperidine-1-carboxylate involves multi-step reactions that require precise control over reaction conditions. Advanced synthetic methodologies, such as transition metal-catalyzed cross-coupling reactions and asymmetric hydrogenation, have been employed to achieve high yields and enantioselectivity. These techniques are essential for producing pharmaceutical-grade compounds that meet stringent regulatory requirements.
The versatility of Tert-butyl 4-(aMinoMethyl)-3-fluoro-4-methylpiperidine-1-carboxylate as a building block for drug discovery is evident from its diverse applications in medicinal chemistry. Researchers have utilized this compound to develop novel inhibitors targeting specific disease-causing proteins. For instance, derivatives of this molecule have shown promise in inhibiting tyrosine kinases associated with cancer cell proliferation. Such findings highlight its potential as a lead compound for developing next-generation therapeutics.
The future prospects of Tert-butyl 4-(aMinoMethyl)-3-fluoro-4-methylpiperidine-1-carboxylate are promising, with ongoing research aimed at expanding its therapeutic applications. Collaborative efforts between academic institutions and pharmaceutical companies are essential for translating preclinical findings into clinical trials. By integrating cutting-edge technologies such as CRISPR gene editing and high-throughput screening, scientists can accelerate the discovery process and bring new treatments to patients in need.
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