Cas no 2593308-30-4 (tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate)
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 5H-Pyrrolo[3,2-c]pyridine-5-carboxylic acid, 3,3-difluorooctahydro-, 1,1-dimethylethyl ester, (3aR,7aS)-rel-
- tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate
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- MDL: MFCD34182769
- Inchi: 1S/C12H20F2N2O2/c1-11(2,3)18-10(17)16-5-4-9-8(6-16)12(13,14)7-15-9/h8-9,15H,4-7H2,1-3H3/t8-,9+/m1/s1
- InChI Key: JDVNFFNXDUWBPN-BDAKNGLRSA-N
- SMILES: C1N(C(OC(C)(C)C)=O)CC[C@]2([H])NCC(F)(F)[C@]12[H]
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBX1437-100MG |
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate |
2593308-30-4 | 95% | 100MG |
¥ 2,475.00 | 2023-02-28 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBX1437-250MG |
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate |
2593308-30-4 | 95% | 250MG |
¥ 3,960.00 | 2023-02-28 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBX1437-500MG |
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate |
2593308-30-4 | 95% | 500MG |
¥ 6,600.00 | 2023-02-28 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBX1437-1G |
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate |
2593308-30-4 | 95% | 1g |
¥ 9,900.00 | 2023-02-28 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBX1437-5G |
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate |
2593308-30-4 | 95% | 5g |
¥ 29,700.00 | 2023-02-28 | |
| AstaTech | AT26425-1/G |
TERT-BUTYL CIS-3,3-DIFLUORO-2,3A,4,6,7,7A-HEXAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-5-CARBOXYLATE |
2593308-30-4 | 95% | 1g |
$2490 | 2023-09-19 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBX1437-100mg |
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate |
2593308-30-4 | 95% | 100mg |
¥2475.0 | 2024-04-21 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBX1437-250mg |
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate |
2593308-30-4 | 95% | 250mg |
¥3960.0 | 2024-04-21 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBX1437-500mg |
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate |
2593308-30-4 | 95% | 500mg |
¥6600.0 | 2024-04-21 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBX1437-1g |
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate |
2593308-30-4 | 95% | 1g |
¥9900.0 | 2024-04-21 |
tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
Additional information on tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate
Comprehensive Overview of tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate (CAS No. 2593308-30-4)
The compound tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate (CAS No. 2593308-30-4) is a highly specialized fluorinated heterocyclic derivative with significant potential in pharmaceutical and agrochemical research. Its unique structural features, including the cis-3,3-difluoro configuration and the pyrrolo[3,2-c]pyridine core, make it a valuable intermediate for drug discovery. Researchers are increasingly focusing on fluorinated compounds due to their enhanced metabolic stability and bioavailability, aligning with current trends in medicinal chemistry and small molecule therapeutics.
In recent years, the demand for tert-butyl-protected intermediates like this compound has surged, particularly in the synthesis of protease inhibitors and kinase modulators. The hexahydro-1H-pyrrolo[3,2-c]pyridine scaffold is known for its versatility in constructing bioactive molecules, addressing key challenges in CNS drug development and oncology. This compound's carboxylate functionality further enhances its utility as a building block for peptide mimetics and prodrug formulations.
From a synthetic perspective, the difluoro moiety in 2593308-30-4 offers distinct advantages in conformational control and electrophilic reactivity, which are critical for structure-activity relationship (SAR) studies. Analytical techniques such as NMR spectroscopy and HPLC-MS are essential for characterizing this compound, given its complex stereochemistry. The tert-butyl ester group also provides excellent protecting group properties, facilitating selective deprotection in multi-step syntheses.
Environmental and regulatory considerations are increasingly shaping the development of fluorinated compounds. The sustainable synthesis of 2593308-30-4 using green chemistry principles is a growing area of interest, particularly in reducing fluorine waste and optimizing atom economy. Researchers are exploring catalytic fluorination methods to improve the efficiency of producing such high-value intermediates.
In the context of AI-driven drug discovery, compounds like tert-butyl cis-3,3-difluoro-2,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate are gaining attention for their potential in virtual screening and molecular docking studies. The integration of machine learning models for predicting ADME properties has further highlighted the importance of such structurally diverse scaffolds. This aligns with industry efforts to accelerate hit-to-lead optimization cycles.
Storage and handling of 2593308-30-4 require standard laboratory protocols for air-sensitive compounds, with emphasis on anhydrous conditions and inert atmosphere protection. Its stability under various pH conditions makes it suitable for diverse formulation development applications. The compound's logP and solubility profiles are frequently analyzed to assess its drug-likeness potential.
Future research directions for this compound may include exploring its chiral resolution for enantioselective synthesis applications, as well as investigating its metabolite identification in biological systems. The growing field of fluorine-18 radiochemistry could also benefit from derivatives of this scaffold for PET imaging probes. As the pharmaceutical industry continues to prioritize targeted therapies, the relevance of such multifunctional intermediates is expected to rise significantly.
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