Cas no 1183588-29-5 (4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole)
4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 4-bromo-1-[(tetrahydro-2H-pyran-2-yl)methyl]-1H-Pyrazole
- BMRLMFBUTQDGRT-UHFFFAOYSA-N
- 4-bromo-1-(oxan-2-ylmethyl)-1H-pyrazole
- 4-bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole
- 4-bromo-1-((tetrahydro-2H-pyran-2-yl)methyl)-1H-pyrazole
- 4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole
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- Inchi: 1S/C9H13BrN2O/c10-8-5-11-12(6-8)7-9-3-1-2-4-13-9/h5-6,9H,1-4,7H2
- InChI Key: BMRLMFBUTQDGRT-UHFFFAOYSA-N
- SMILES: BrC1C=NN(C=1)CC1CCCCO1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 168
- Topological Polar Surface Area: 27
4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B249801-100mg |
4-bromo-1-[(oxan-2-yl)methyl]-1h-pyrazole |
1183588-29-5 | 100mg |
$ 115.00 | 2022-06-07 | ||
| TRC | B249801-500mg |
4-bromo-1-[(oxan-2-yl)methyl]-1h-pyrazole |
1183588-29-5 | 500mg |
$ 410.00 | 2022-06-07 | ||
| TRC | B249801-1g |
4-bromo-1-[(oxan-2-yl)methyl]-1h-pyrazole |
1183588-29-5 | 1g |
$ 615.00 | 2022-06-07 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1624788-250mg |
4-Bromo-1-((tetrahydro-2H-pyran-2-yl)methyl)-1H-pyrazole |
1183588-29-5 | 98% | 250mg |
¥5149.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1624788-500mg |
4-Bromo-1-((tetrahydro-2H-pyran-2-yl)methyl)-1H-pyrazole |
1183588-29-5 | 98% | 500mg |
¥10298.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1624788-1g |
4-Bromo-1-((tetrahydro-2H-pyran-2-yl)methyl)-1H-pyrazole |
1183588-29-5 | 98% | 1g |
¥18022.00 | 2024-08-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1624788-2.5g |
4-Bromo-1-((tetrahydro-2H-pyran-2-yl)methyl)-1H-pyrazole |
1183588-29-5 | 98% | 2.5g |
¥27027.00 | 2024-08-09 | |
| Life Chemicals | F2147-7434-0.25g |
4-bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole |
1183588-29-5 | 95%+ | 0.25g |
$392.0 | 2023-09-06 | |
| Life Chemicals | F2147-7434-0.5g |
4-bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole |
1183588-29-5 | 95%+ | 0.5g |
$413.0 | 2023-09-06 | |
| Life Chemicals | F2147-7434-1g |
4-bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole |
1183588-29-5 | 95%+ | 1g |
$435.0 | 2023-09-06 |
4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
Additional information on 4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole
Comprehensive Overview of 4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole (CAS No. 1183588-29-5)
4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole (CAS No. 1183588-29-5) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This brominated pyrazole derivative features a unique tetrahydropyranylmethyl substitution, which enhances its reactivity and potential applications in drug discovery. Researchers are particularly interested in its role as a versatile building block for synthesizing biologically active molecules, given its ability to participate in cross-coupling reactions and serve as a pharmacophore scaffold.
The compound’s molecular structure combines a pyrazole core with a 4-bromo substituent and a tetrahydropyranylmethyl group, making it a valuable intermediate in medicinal chemistry. Recent studies highlight its utility in developing kinase inhibitors and antimicrobial agents, aligning with the growing demand for novel therapeutic candidates. Its CAS No. 1183588-29-5 is frequently searched in scientific databases, reflecting its relevance in high-throughput screening and structure-activity relationship (SAR) studies.
In the context of green chemistry, 4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole has been explored for its potential in sustainable synthesis. The compound’s stability under mild reaction conditions makes it suitable for catalytic transformations, a topic of high interest in industrial R&D. Additionally, its low toxicity profile (as per available data) positions it as a safer alternative to traditional halogenated intermediates, addressing environmental concerns in chemical manufacturing.
From a commercial perspective, the demand for CAS 1183588-29-5 is driven by its applications in custom synthesis and contract research organizations (CROs). Suppliers often highlight its high purity (>98%) and compatibility with Pd-catalyzed reactions, which are critical for API development. The compound’s long-term storage stability further enhances its appeal for large-scale procurement.
Emerging trends in AI-driven drug discovery have also spotlighted 4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole as a candidate for virtual screening libraries. Computational models frequently incorporate its structural features to predict bioactivity against targets like G-protein-coupled receptors (GPCRs). This aligns with the pharmaceutical industry’s focus on rational drug design and fragment-based lead discovery.
In summary, 4-Bromo-1-[(oxan-2-yl)methyl]-1H-pyrazole (CAS No. 1183588-29-5) represents a multifaceted tool for modern chemical research. Its synthetic flexibility, biological relevance, and commercial accessibility make it a compound of enduring interest across academia and industry. Future studies may explore its derivatives for niche applications in material science or bioconjugation, further expanding its utility.
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