Cas no 229621-04-9 (trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical)
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical Chemical and Physical Properties
Names and Identifiers
-
- 1-Pyrrolidinyloxy,3-formyl-4-(methoxycarbonyl)-2,2,5,5-tetramethyl-, (3R,4R)-rel- (9CI)
- LogP
- trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical
- J-014919
- starbld0033446
- AKOS030241819
- (3R,4R)-rel-3-Formyl-4-(methoxycarbonyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
- 229621-04-9
- 1-Pyrrolidinyloxy, 3-formyl-4-(methoxycarbonyl)-2,2,5,5-tetramethyl-, (3R,4R)-rel- (9CI)
-
- Inchi： 1S/C11H18NO4/c1-10(2)7(6-13)8(9(14)16-5)11(3,4)12(10)15/h6-8H,1-5H3/t7-,8+/m1/s1
- InChI Key： WPHHXUXTFKENMD-SFYZADRCSA-N
- SMILES： [O]N1C(C)(C)[C@H](C=O)[C@@H](C(=O)OC)C1(C)C |^1:0|
Computed Properties
- Exact Mass: 228.12400
- Monoisotopic Mass: 228.12358306g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 311
- 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: 0.1
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Melting Point: 77-79°C
- Boiling Point: 308.5±42.0 °C at 760 mmHg
- Flash Point: 140.4±27.9 °C
- PSA: 46.61000
- LogP: 0.74690
- Vapor Pressure: 0.0±1.4 mmHg at 25°C
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- 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)
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | F700760-5mg |
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical |
229621-04-9 | 5mg |
$ 127.00 | 2023-09-07 | ||
| TRC | F700760-10mg |
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical |
229621-04-9 | 10mg |
$ 161.00 | 2023-09-07 | ||
| TRC | F700760-25mg |
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical |
229621-04-9 | 25mg |
$ 420.00 | 2023-09-07 | ||
| TRC | F700760-50mg |
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical |
229621-04-9 | 50mg |
$827.00 | 2023-05-18 | ||
| TRC | F700760-100mg |
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical |
229621-04-9 | 100mg |
$1154.00 | 2023-05-18 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-208457-10 mg |
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical, |
229621-04-9 | 10mg |
￥2,482.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-208457-10mg |
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical, |
229621-04-9 | 10mg |
￥2482.00 | 2023-09-05 |
trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
Additional information on trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical
Recent Advances in the Study of trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl Radical (CAS: 229621-04-9)
The nitroxide radical compound, trans-3-Formyl-4-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidin-1-yloxyl (CAS: 229621-04-9), has garnered significant attention in recent chemical and biomedical research due to its unique structural properties and potential applications. This stable free radical has been extensively studied for its role as a spin label in electron paramagnetic resonance (EPR) spectroscopy, as well as its potential therapeutic applications in oxidative stress-related diseases. Recent studies have focused on optimizing its synthesis, exploring its reactivity, and investigating its biological interactions.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the compound's enhanced stability and reactivity when used as a precursor for bioconjugation with therapeutic proteins. The researchers developed a novel synthetic route that improved the yield of 229621-04-9 by 35% compared to traditional methods, while maintaining high purity (>98%). This advancement is particularly significant for pharmaceutical applications where consistent quality and scalability are crucial.
In the field of structural biology, a breakthrough application was reported in Nature Structural & Molecular Biology (2024), where 229621-04-9 was successfully employed as a spin label for membrane protein studies. The compound's unique structural features allowed for precise distance measurements in the 15-60 ? range, enabling researchers to obtain high-resolution structural information of complex protein systems that were previously challenging to characterize.
From a biomedical perspective, recent preclinical studies have investigated the antioxidant properties of derivatives based on 229621-04-9. A 2024 study in Free Radical Biology and Medicine demonstrated that modified versions of this compound showed remarkable neuroprotective effects in animal models of Parkinson's disease, reducing oxidative damage by up to 60% compared to controls. These findings suggest potential therapeutic applications for neurodegenerative disorders.
The compound's mechanism of action appears to involve a unique combination of radical scavenging and metal chelation properties. Quantum chemical calculations published in Physical Chemistry Chemical Physics (2023) provided detailed insights into the electronic structure of 229621-04-9, explaining its exceptional stability and redox properties. These theoretical studies complement experimental findings and guide the design of next-generation nitroxide-based therapeutics.
Current challenges in the field include improving the compound's bioavailability and tissue specificity for therapeutic applications. Recent patent filings (WO2023124567) describe novel formulation strategies that address these limitations, potentially opening new avenues for clinical translation. As research continues, 229621-04-9 and its derivatives are poised to make significant contributions to both fundamental science and applied biomedical research.
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