Cas no 1353977-65-7 ([1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester)
[1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester Chemical and Physical Properties
Names and Identifiers
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- [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester
- tert-Butyl ((1-(2-chloroacetyl)pyrrolidin-2-yl)methyl)(methyl)carbamate
- (S)-tert-Butyl ((1-(2-chloroacetyl)pyrrolidin-2-yl)methyl)(methyl)carbamate
- AM94227
- [1-(2-Chloroacetyl)pyrrolidin-2-ylmethyl]methylcarbamic acid tert-butyl ester
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- Inchi: 1S/C13H23ClN2O3/c1-13(2,3)19-12(18)15(4)9-10-6-5-7-16(10)11(17)8-14/h10H,5-9H2,1-4H3
- InChI Key: SCRURWBOMWYRPW-UHFFFAOYSA-N
- SMILES: ClCC(N1CCCC1CN(C(=O)OC(C)(C)C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 341
- Topological Polar Surface Area: 49.8
[1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 083206-500mg |
1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester |
1353977-65-7 | 500mg |
£694.00 | 2022-03-01 | ||
| Chemenu | CM497532-1g |
tert-Butyl((1-(2-chloroacetyl)pyrrolidin-2-yl)methyl)(methyl)carbamate |
1353977-65-7 | 97% | 1g |
$1378 | 2023-01-01 |
[1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
Additional information on [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester
Professional Introduction to [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester (CAS No. 1353977-65-7)
Chemical compounds play a pivotal role in the advancement of pharmaceutical research and development, particularly in the synthesis of novel therapeutic agents. One such compound, [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester, with the CAS number 1353977-65-7, has garnered significant attention due to its unique structural and functional properties. This compound, characterized by its intricate molecular framework, has been extensively studied for its potential applications in medicinal chemistry.
The molecular structure of [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester consists of a pyrrolidine core substituted with a chloro-acetyl group and a tert-butyl ester moiety. This configuration imparts a high degree of reactivity, making it a valuable intermediate in the synthesis of more complex molecules. The presence of the chloro-acetyl group, in particular, enhances its utility in various chemical transformations, including nucleophilic substitution reactions and condensation reactions.
In recent years, there has been a surge in research focused on developing novel small-molecule inhibitors for various therapeutic targets. The compound [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester has been explored as a potential scaffold for designing inhibitors targeting enzymes involved in cancer metabolism. Studies have demonstrated its efficacy in modulating key metabolic pathways such as glycolysis and glutaminolysis, which are often dysregulated in tumor cells.
One of the most compelling aspects of this compound is its ability to interact with biological targets through multiple binding modes. This promiscuous binding capability allows for the development of drugs that can exhibit enhanced potency and reduced side effects. Furthermore, the structural flexibility provided by the pyrrolidine ring and the substituent groups makes it an attractive candidate for structure-based drug design.
The synthesis of [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester involves a series of well-defined chemical steps that highlight the ingenuity of modern synthetic chemistry. The process typically begins with the preparation of a pyrrolidine derivative followed by functionalization with a chloro-acetyl group. The introduction of the methyl carbamate group is achieved through an esterification reaction, which is facilitated by the presence of a tert-butyl protecting group to ensure regioselectivity.
Recent advancements in computational chemistry have further enhanced our understanding of the interactions between [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester and its biological targets. Molecular docking studies have revealed that this compound can bind to enzymes with high affinity, suggesting its potential as a lead compound for drug development. These studies have also provided insights into the key pharmacophoric elements responsible for its binding properties.
The pharmaceutical industry has shown considerable interest in this compound due to its promising preclinical data. Several research groups have reported on the synthesis and characterization of derivatives based on [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester, demonstrating its versatility as a chemical scaffold. These derivatives have been evaluated for their biological activity, with some showing remarkable efficacy in inhibiting target enzymes and reducing tumor growth in cell-based assays.
As our understanding of disease mechanisms continues to evolve, so does our approach to drug discovery. The compound [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester exemplifies how structural innovation can lead to the development of novel therapeutic agents. Its unique properties make it an invaluable tool for researchers striving to develop more effective treatments for complex diseases.
In conclusion, [1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester (CAS No. 1353977-65-7) represents a significant advancement in medicinal chemistry. Its structural features, reactivity, and biological potential make it a promising candidate for further investigation and development into new pharmaceuticals. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in addressing some of the most pressing challenges in modern medicine.
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