Cas no 2361610-25-3 ((1S,3R)-2,2-Dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid)
(1S,3R)-2,2-Dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- Z3476966043
- rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
- (1S,3R)-2,2-Dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
- EN300-7429976
- 2361610-25-3
-
- Inchi: 1S/C9H12N2O3/c1-4-10-7(14-11-4)5-6(8(12)13)9(5,2)3/h5-6H,1-3H3,(H,12,13)/t5-,6+/m0/s1
- InChI Key: XHDZXKWUZYFTBS-NTSWFWBYSA-N
- SMILES: O1C([C@@H]2[C@H](C(=O)O)C2(C)C)=NC(C)=N1
Computed Properties
- Exact Mass: 196.08479225g/mol
- Monoisotopic Mass: 196.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 267
- 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: 1.1
- Topological Polar Surface Area: 76.2?2
(1S,3R)-2,2-Dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-7429976-0.05g |
rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid |
2361610-25-3 | 95.0% | 0.05g |
$197.0 | 2025-03-11 | |
| Enamine | EN300-7429976-0.1g |
rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid |
2361610-25-3 | 95.0% | 0.1g |
$293.0 | 2025-03-11 | |
| Enamine | EN300-7429976-0.25g |
rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid |
2361610-25-3 | 95.0% | 0.25g |
$418.0 | 2025-03-11 | |
| Enamine | EN300-7429976-0.5g |
rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid |
2361610-25-3 | 95.0% | 0.5g |
$656.0 | 2025-03-11 | |
| Enamine | EN300-7429976-1.0g |
rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid |
2361610-25-3 | 95.0% | 1.0g |
$842.0 | 2025-03-11 | |
| Enamine | EN300-7429976-2.5g |
rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid |
2361610-25-3 | 95.0% | 2.5g |
$1650.0 | 2025-03-11 | |
| Enamine | EN300-7429976-5.0g |
rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid |
2361610-25-3 | 95.0% | 5.0g |
$2443.0 | 2025-03-11 | |
| Enamine | EN300-7429976-10.0g |
rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid |
2361610-25-3 | 95.0% | 10.0g |
$3622.0 | 2025-03-11 | |
| 1PlusChem | 1P028NYN-50mg |
rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylicacid |
2361610-25-3 | 95% | 50mg |
$297.00 | 2023-12-18 | |
| 1PlusChem | 1P028NYN-100mg |
rac-(1R,3S)-2,2-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylicacid |
2361610-25-3 | 95% | 100mg |
$412.00 | 2023-12-18 |
(1S,3R)-2,2-Dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid Related Literature
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Cyclopropanecarboxylic acids
- Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives Cyclopropanecarboxylic acids
Additional information on (1S,3R)-2,2-Dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
Comprehensive Overview of (1S,3R)-2,2-Dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (CAS No. 2361610-25-3)
The compound (1S,3R)-2,2-Dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (CAS No. 2361610-25-3) is a cyclopropane derivative with a unique structural framework, combining a 1,2,4-oxadiazole ring and a carboxylic acid functional group. This molecule has garnered significant attention in pharmaceutical and agrochemical research due to its potential as a bioactive scaffold. Its stereochemistry, denoted by the (1S,3R) configuration, plays a critical role in its interactions with biological targets, making it a subject of interest for drug discovery and development.
In recent years, the demand for cyclopropane-containing compounds has surged, driven by their applications in medicinal chemistry and crop protection. The presence of the 3-methyl-1,2,4-oxadiazole moiety in this compound enhances its stability and bioavailability, addressing key challenges in small-molecule drug design. Researchers are particularly intrigued by its potential as a metabotropic glutamate receptor (mGluR) modulator, a hot topic in neuroscience and neurodegenerative disease research. This aligns with current trends in targeting GPCRs (G-protein-coupled receptors), a focus area for treating conditions like Parkinson's and Alzheimer's diseases.
The synthesis of (1S,3R)-2,2-Dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid often involves stereoselective cyclopropanation followed by oxadiazole ring formation, methodologies frequently searched in organic synthesis databases. Its carboxylic acid group allows for further derivatization, enabling the creation of esters, amides, or other prodrug forms—a strategy widely explored to improve drug delivery and pharmacokinetics. These features make it a versatile intermediate in structure-activity relationship (SAR) studies.
From an SEO perspective, queries related to "CAS 2361610-25-3 supplier," "1,2,4-oxadiazole derivatives uses," and "cyclopropane carboxylic acid synthesis" reflect high user interest. The compound's relevance to fragment-based drug discovery (FBDD) also ties into trending discussions about AI-driven molecular design, where fragments like this are used to build larger drug candidates. Additionally, its potential role in sustainable agriculture as a low-toxicity pesticide precursor aligns with global emphasis on green chemistry.
Analytical characterization of this compound typically employs NMR spectroscopy, HPLC-MS, and X-ray crystallography—techniques commonly searched by chemists. Its chiral purity is critical, as enantiomeric impurities can significantly alter biological activity. This underscores the importance of asymmetric synthesis methods, another high-traffic topic in academic and industrial research forums.
In conclusion, (1S,3R)-2,2-Dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid represents a compelling case study at the intersection of structural complexity and therapeutic potential. Its multifaceted applications—from central nervous system (CNS) drug development to agrochemical innovation—ensure its continued prominence in scientific literature and patent filings. As research advances, this compound may well emerge as a cornerstone in next-generation small-molecule therapeutics.
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