Cas no 122151-32-0 ((S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one)
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one Chemical and Physical Properties
Names and Identifiers
-
- (S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one
- (2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
- 1-[(2S)-2-(BENZYLOXY)PROPANOYL]PYRROLIDINE
- (S)-N,N-tetramethylene-2-benzyloxypropionamide
- N-[(S)-2-Benzyloxypropanoyl]pyrrolidine
- 1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine(WS202926)
- (2S)-2-(BENZYLOXY)-1-(PYRROLIDIN-1-YL)PROPAN-1-ONE
- 1-Propanone, 2-(phenylmethoxy)-1-(1-pyrrolidinyl)-, (2S)-
- 2-(Phenylmethoxy)-1-(1-pyrrolidinyl)-1-propanone, (-)-
- MFCD16618590
- XEA15132
- DTXSID40446887
- 122151-32-0
- AKOS015966498
- W17351
- SCHEMBL20336587
- 1-((2s)-2-(benzyloxy)propanoyl)pyrrolidine
- 2-(Phenylmethoxy)-1-(1-pyrrolidinyl)-1-propanone, (2S)-
- CS-0059828
- AS-70392
- DB-336322
- (2S)-2-(Phenylmethoxy)-1-(1-pyrrolidinyl)-1-propanone
- HN2U8XS7DH
-
- MDL: MFCD16618590
- Inchi: 1S/C14H19NO2/c1-12(14(16)15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m0/s1
- InChI Key: TVZLBOSPKGJOTA-LBPRGKRZSA-N
- SMILES: O(CC1C=CC=CC=1)[C@@H](C)C(N1CCCC1)=O
Computed Properties
- Exact Mass: 233.14200
- Monoisotopic Mass: 233.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54000
- LogP: 2.15200
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one Security Information
- Storage Condition:Sealed in dry,2-8°C(BD262805)
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A109005918-1g |
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one |
122151-32-0 | 95% | 1g |
$539.55 | 2023-09-03 | |
| Chemenu | CM198122-1g |
(S)-2-(benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one |
122151-32-0 | 95% | 1g |
$574 | 2021-08-05 | |
| abcr | AB513098-250 mg |
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one; . |
122151-32-0 | 250MG |
€312.80 | 2023-04-18 | ||
| abcr | AB513098-1 g |
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one; . |
122151-32-0 | 1g |
€511.00 | 2023-04-18 | ||
| Ambeed | A879483-100mg |
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one |
122151-32-0 | 95% | 100mg |
$19.0 | 2025-02-27 | |
| Ambeed | A879483-250mg |
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one |
122151-32-0 | 95% | 250mg |
$33.0 | 2025-02-27 | |
| Ambeed | A879483-1g |
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one |
122151-32-0 | 95% | 1g |
$117.0 | 2025-02-27 | |
| Chemenu | CM198122-250mg |
(S)-2-(benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one |
122151-32-0 | 95% | 250mg |
$188 | 2023-03-07 | |
| Chemenu | CM198122-1g |
(S)-2-(benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one |
122151-32-0 | 95% | 1g |
$317 | 2023-03-07 | |
| ChemScence | CS-0059828-100mg |
(2S)-2-Phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one |
122151-32-0 | 97.17% | 100mg |
$94.0 | 2022-04-28 |
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
Additional information on (S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one
Introduction to (S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one (CAS No: 122151-32-0)
(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one is a significant compound in the field of pharmaceutical chemistry, characterized by its unique structural framework and biochemical properties. This compound, identified by the CAS number 122151-32-0, has garnered considerable attention due to its potential applications in drug development and synthetic organic chemistry. The molecular structure of this compound consists of a propanone backbone substituted with a benzyloxy group and a pyrrolidine moiety, which contributes to its distinct chemical reactivity and functional versatility.
The stereochemistry of (S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one is particularly noteworthy, as the (S) configuration imparts specific interactions with biological targets. This chirality is a critical factor in pharmaceutical design, influencing both the efficacy and selectivity of potential drug candidates. Recent advancements in chiral synthesis have enabled more efficient and scalable production methods for such enantiomerically pure compounds, making them more accessible for research and development purposes.
In recent years, there has been growing interest in the pharmacological applications of (S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one. Studies have demonstrated its potential as a precursor or intermediate in the synthesis of various bioactive molecules. For instance, researchers have explored its utility in developing neurokinin receptor antagonists, which are being investigated for their therapeutic effects in conditions such as pain management and neurodegenerative disorders. The benzyloxy group and pyrrolidine ring are particularly valuable in modulating binding affinity and pharmacokinetic profiles, making this compound a promising candidate for further exploration.
The synthetic pathways for (S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one have been optimized to enhance yield and purity. Modern techniques such as asymmetric hydrogenation and catalytic resolution have enabled the production of high-quality enantiomerically pure samples. These advancements are crucial for ensuring consistency in experimental outcomes and facilitating industrial-scale production. The compound's stability under various conditions has also been thoroughly evaluated, confirming its suitability for both laboratory research and potential commercial applications.
From a spectroscopic perspective, (S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one exhibits distinct characteristics that aid in its identification and characterization. Nuclear magnetic resonance (NMR) spectroscopy reveals the unique environment of the protons and carbons within the molecule, while mass spectrometry provides precise molecular weight confirmation. These analytical techniques are essential for verifying the compound's integrity throughout its synthesis and application processes.
The biocompatibility of (S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one has been assessed through preliminary toxicological studies. These investigations have shown that the compound exhibits low toxicity at tested concentrations, suggesting its potential for safe handling in laboratory settings. However, further comprehensive toxicological evaluations are necessary to fully understand its safety profile before any clinical applications can be considered.
In conclusion, (S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one is a versatile and intriguing compound with significant implications in pharmaceutical chemistry. Its unique structural features, combined with recent advancements in synthetic methodologies, position it as a valuable tool for drug discovery and molecular research. As scientific understanding continues to evolve, the applications of this compound are likely to expand, contributing to innovative therapeutic solutions.
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