Cas no 21557-09-5 (4'-(1-Pyrrolidino)acetophenone)
4'-(1-Pyrrolidino)acetophenone Chemical and Physical Properties
Names and Identifiers
-
- 4-(1-Pyrrolidino)acetophenone
- 1-(4-pyrrolidin-1-ylphenyl)ethanone
- 1-(4-acetylphenyl)pyrrolidine
- 1-[4-(pyrrolidin-1-yl)phenyl]ethanone
- 1-acetyl-4-pyrrolidinylbenzene
- 4'-(1-PYRROLIDINYL)ACETOPHENONE
- 4-(N-pyrrolidino)acetophenone
- 4-pyrrolidinoacetophenone
- 4'-pyrrolidinophenyl methyl ketone
- N-(4-acetylphenyl)pyrrolidine
- 1-(4-Pyrrolidin-1-yl-phenyl)-ethanone
- MFCD01075691
- DTXSID60352971
- 1-(4-(pyrrolidin-1-yl)phenyl)ethan-1-one
- SCHEMBL909633
- CS-0206142
- 4'-(1-Pyrrolidinyl)acetophenone, AldrichCPR
- 1-(4-(pyrrolidin-1-yl)phenyl)ethanone
- AS-17948
- 21557-09-5
- AKOS000221512
- EN300-1831604
- 1-[4-(pyrrolidin-1-yl)phenyl]ethan-1-one
- 1-[4-(1-PYRROLIDINYL)PHENYL]-1-ETHANONE
- A815469
- WAA55709
- 4'-(1-Pyrrolidino)acetophenone
- FT-0616489
- 1-[4-(1-pyrrolidinyl)phenyl]ethanone
- WNRFELFKDNNURJ-UHFFFAOYSA-N
- SB35420
- STK793008
- G85844
- DB-045618
- Ethanone,1-[4-(1-pyrrolidinyl)phenyl]-
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- MDL： MFCD01075691
- Inchi： 1S/C12H15NO/c1-10(14)11-4-6-12(7-5-11)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
- InChI Key： WNRFELFKDNNURJ-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CC(=CC=1)N1CCCC1
- BRN： 4310531
Computed Properties
- Exact Mass: 189.11500
- Monoisotopic Mass: 189.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 20.3A^2
Experimental Properties
- Color/Form: {"from":"zh","to":"en","trans_result":[{"src":"\u672a\u786e\u5b9a","dst":"Not determined"},{"src":"2.\u00a0\u5bc6\u5ea6\uff08g\/mL,25\/4\u2103\uff09","dst":"2. density (g\/ml, 25\/4 \u2103)"}]}
- Density: 1.078
- Melting Point: 129-131°C
- Boiling Point: 342.7°Cat760mmHg
- Flash Point: 136.5°C
- Refractive Index: 1.556
- PSA: 20.31000
- LogP: 2.55440
4'-(1-Pyrrolidino)acetophenone Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4'-(1-Pyrrolidino)acetophenone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 10R0597-5g |
1-(4-Pyrrolidin-1-yl-phenyl)-ethanone |
21557-09-5 | 98% | 5g |
296.81CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 10R0597-25g |
1-(4-Pyrrolidin-1-yl-phenyl)-ethanone |
21557-09-5 | 98% | 25g |
1187.26CNY | 2021-05-08 | |
| Chemenu | CM198872-100g |
1-(4-(pyrrolidin-1-yl)phenyl)ethan-1-one |
21557-09-5 | 97% | 100g |
$373 | 2021-08-05 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P301578-25g |
4'-(1-Pyrrolidino)acetophenone |
21557-09-5 | 98% | 25g |
￥2180.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P301578-5g |
4'-(1-Pyrrolidino)acetophenone |
21557-09-5 | 98% | 5g |
￥617.90 | 2023-09-01 | |
| TRC | P999175-10mg |
4'-(1-Pyrrolidino)acetophenone |
21557-09-5 | 10mg |
$ 50.00 | 2022-06-03 | ||
| TRC | P999175-50mg |
4'-(1-Pyrrolidino)acetophenone |
21557-09-5 | 50mg |
$ 65.00 | 2022-06-03 | ||
| TRC | P999175-100mg |
4'-(1-Pyrrolidino)acetophenone |
21557-09-5 | 100mg |
$ 80.00 | 2022-06-03 | ||
| Apollo Scientific | OR914528-5g |
4'-(1-Pyrrolidino)acetophenone |
21557-09-5 | 96% | 5g |
￡75.00 | 2024-05-26 | |
| Apollo Scientific | OR914528-25g |
4'-(1-Pyrrolidino)acetophenone |
21557-09-5 | 96% | 25g |
￡135.00 | 2024-05-26 |
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4'-(1-Pyrrolidino)acetophenone Related Literature
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Fabienne Pradaux-Caggiano,Xiangdong Su,Nigel Vicker,Mark P. Thomas,Deborah Smithen,Heather A. Halem,Michael D. Culler,Barry V. L. Potter Med. Chem. Commun. 2012 3 1117
Additional information on 4'-(1-Pyrrolidino)acetophenone
Chemical Profile of 4'-(1-Pyrrolidino)acetophenone (CAS No. 21557-09-5)
4'-(1-Pyrrolidino)acetophenone, identified by the Chemical Abstracts Service Number (CAS No.) 21557-09-5, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This molecule, featuring a phenyl ring substituted with an acetophenone moiety linked to a pyrrolidine ring, has garnered attention due to its structural versatility and potential biological activities. The pyrrolidine moiety introduces a nitrogen-containing heterocycle, which is a common feature in many bioactive molecules, while the acetophenone group provides opportunities for further functionalization and interaction with biological targets.
The synthesis of 4'-(1-Pyrrolidino)acetophenone typically involves multi-step organic transformations, starting from readily available precursors such as phenylacetic acid or its derivatives. The introduction of the pyrrolidine ring often requires nucleophilic substitution or condensation reactions, depending on the synthetic route chosen. Advanced techniques in organic synthesis, including palladium-catalyzed cross-coupling reactions, have been employed to enhance yield and purity, ensuring that the final product meets the stringent requirements of pharmaceutical applications.
Recent advancements in computational chemistry and molecular modeling have facilitated a deeper understanding of the interactions between 4'-(1-Pyrrolidino)acetophenone and biological targets. These studies suggest that the compound may exhibit properties relevant to central nervous system (CNS) modulation, potentially making it a candidate for further investigation in the development of novel therapeutics for neurological disorders. The nitrogen atom in the pyrrolidine ring can form hydrogen bonds with biomolecules, enhancing binding affinity and selectivity.
In addition to its pharmacological potential, 4'-(1-Pyrrolidino)acetophenone has been explored in material science applications. Its ability to undergo further derivatization allows for the creation of polymers and coatings with unique properties. For instance, incorporating this compound into polymer matrices can enhance thermal stability and mechanical strength, making it valuable in industrial applications where durability is paramount.
The chemical properties of 4'-(1-Pyrrolidino)acetophenone, such as its solubility and reactivity, are also subjects of ongoing research. Studies have shown that modifications to the pyrrolidine ring can significantly alter these properties, offering a means to fine-tune the compound's behavior in different environments. This flexibility is crucial for optimizing its use in both pharmaceutical formulations and industrial processes.
From a regulatory perspective, 4'-(1-Pyrrolidino)acetophenone (CAS No. 21557-09-5) is subject to standard chemical safety assessments to ensure its handling and application are safe for researchers and industry professionals. While not classified as a hazardous substance under current regulations, proper laboratory protocols must be followed to minimize exposure risks. This includes using appropriate personal protective equipment (PPE) and working in well-ventilated areas.
The role of 4'-(1-Pyrrolidino)acetophenone in drug discovery continues to evolve with new research findings. Recent studies have highlighted its potential as an intermediate in the synthesis of more complex molecules with enhanced pharmacological profiles. By leveraging its structural features, chemists can design derivatives that target specific disease pathways more effectively.
The future prospects for 4'-(1-Pyrrolidino)acetophenone are promising, with ongoing investigations into its mechanisms of action and potential therapeutic applications. Collaborative efforts between academia and industry are likely to drive innovation in this field, leading to novel compounds that address unmet medical needs. As our understanding of molecular interactions deepens, so too will the applications of this versatile compound.
In conclusion, 4'-(1-Pyrrolidino)acetophenone (CAS No. 21557-09-5) represents a fascinating area of study within chemical biology and medicinal chemistry. Its unique structure and potential biological activities make it a valuable asset in both research and industrial settings. As new discoveries emerge, this compound will continue to play a pivotal role in advancing our capabilities in drug development and material science.
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