Cas no 1427058-29-4 (cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid)
cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
- AKOS037644545
- AS-53950
- cis-3-[2-(t-Butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
- cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylicacid
- P17326
- SCHEMBL14768582
- (3S,4R)-4-methyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
- MFCD31556098
- 1427058-29-4
-
- MDL: MFCD31556098
- Inchi: InChI=1S/C12H21NO4/c1-8-6-13-7-12(8,10(15)16)5-9(14)17-11(2,3)4/h8,13H,5-7H2,1-4H3,(H,15,16)/t8-,12+/m0/s1
- InChI Key: AYESCXPKJQDVGF-QPUJVOFHSA-N
- SMILES: CC1CNCC1(CC(=O)OC(C)(C)C)C(=O)O
Computed Properties
- Exact Mass: 243.14705815g/mol
- Monoisotopic Mass: 243.14705815g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 321
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.8
- Topological Polar Surface Area: 75.6?2
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.1±0.1 g/cm3
- Boiling Point: 349.2±27.0 °C at 760 mmHg
- Flash Point: 165.0±23.7 °C
- Vapor Pressure: 0.0±1.6 mmHg at 25°C
cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB486824-250 mg |
cis-3-[2-(t-Butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid |
1427058-29-4 | 250MG |
€951.70 | 2023-04-20 | ||
| eNovation Chemicals LLC | D587389-100mg |
cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid |
1427058-29-4 | 97% | 100mg |
$250 | 2024-07-21 | |
| eNovation Chemicals LLC | D587389-250MG |
cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid |
1427058-29-4 | 97% | 250mg |
$385 | 2024-07-21 | |
| eNovation Chemicals LLC | D587389-500MG |
cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid |
1427058-29-4 | 97% | 500mg |
$640 | 2024-07-21 | |
| eNovation Chemicals LLC | D587389-1G |
cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid |
1427058-29-4 | 97% | 1g |
$960 | 2024-07-21 | |
| eNovation Chemicals LLC | D587389-5G |
cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid |
1427058-29-4 | 97% | 5g |
$2890 | 2024-07-21 | |
| Chemenu | CM534373-100mg |
cis-3-[2-(tert-Butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid |
1427058-29-4 | 95%+ | 100mg |
$262 | 2023-01-02 | |
| Chemenu | CM534373-250mg |
cis-3-[2-(tert-Butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid |
1427058-29-4 | 95%+ | 250mg |
$525 | 2023-01-02 | |
| Chemenu | CM534373-1g |
cis-3-[2-(tert-Butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid |
1427058-29-4 | 95%+ | 1g |
$1313 | 2023-01-02 | |
| eNovation Chemicals LLC | D257279-1g |
(3S,4R)-3-(2-tert-butoxy-2-oxoethyl)-4-methylpyrrolidine-3-carboxylic acid HCl salt |
1427058-29-4 | 96% GC | 1g |
$1498 | 2024-08-03 |
cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid Related Literature
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
Additional information on cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
Introduction to Cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic Acid (CAS No. 1427058-29-4)
Cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid, with the CAS number 1427058-29-4, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and biomedicine. This compound belongs to the pyrrolidine class, a heterocyclic structure that is widely recognized for its diverse biological activities and potential applications in drug development. The unique arrangement of functional groups in its molecular framework, including the tert-butoxy and carboxylic acid moieties, contributes to its distinctive chemical properties and reactivity, making it a valuable intermediate in synthetic chemistry and a promising candidate for further exploration in medicinal applications.
The synthesis of Cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid involves a series of well-defined chemical transformations that highlight the precision and expertise required in modern organic synthesis. The presence of the tert-butoxy group not only enhances the stability of the compound but also serves as a protective group during various synthetic steps, allowing for selective modifications at other positions. The carboxylic acid functionality, on the other hand, provides a reactive site for further derivatization, enabling the formation of esters, amides, and other bioactive molecules. These characteristics make this compound a versatile building block in the construction of more complex pharmacophores.
In recent years, there has been growing interest in exploring the pharmacological potential of pyrrolidine derivatives due to their ability to interact with biological targets in unique ways. Studies have shown that compounds with similar structural motifs can exhibit a range of biological activities, including anti-inflammatory, analgesic, and neuroprotective effects. The specific arrangement of atoms in Cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid may contribute to its potential as a lead compound for drug discovery. For instance, the presence of the methylpyrrolidine core is known to enhance binding affinity to certain enzymes and receptors, while the flexible side chain allows for optimization of pharmacokinetic properties.
The role of this compound in medicinal chemistry extends beyond its use as an intermediate. It has been investigated as a precursor for more complex molecules that could target specific diseases or disorders. For example, researchers have explored its potential in developing treatments for neurological conditions by leveraging its ability to modulate neurotransmitter activity. Additionally, the carboxylic acid group can be readily converted into other functional derivatives that may exhibit enhanced solubility or bioavailability, crucial factors for therapeutic efficacy.
The latest advancements in computational chemistry and molecular modeling have further facilitated the study of Cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid. These tools allow scientists to predict how this compound might interact with biological targets at an atomic level, providing insights into its mechanism of action. Such simulations are invaluable in guiding experimental design and optimizing drug candidates before they enter clinical trials. Moreover, machine learning algorithms have been employed to identify novel derivatives with improved properties based on existing data sets.
In clinical research settings, compounds like Cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid are often used as scaffolds for developing new therapeutic agents. Their structural versatility allows chemists to modify various parts of the molecule while retaining key pharmacological features. This approach has led to significant breakthroughs in drug discovery pipelines. For instance, derivatives of this compound have been tested for their efficacy in treating inflammatory diseases by inhibiting key enzymes involved in inflammatory pathways.
The environmental impact and sustainability considerations are also important aspects when evaluating compounds such as this one. Modern synthetic methods emphasize green chemistry principles, aiming to minimize waste and reduce hazardous byproducts. The synthesis of Cis-3-[2-(tert-butoxy)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid can be optimized to align with these principles, ensuring that its production is both efficient and environmentally friendly.
The future prospects for this compound are promising, with ongoing research exploring new applications and refining synthetic routes. Collaborative efforts between academia and industry are likely to accelerate progress by combining expertise from different fields. As our understanding of biological systems continues to evolve, so too will our ability to harness compounds like this one for therapeutic purposes.
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