Cas no 861135-89-9 ((1-tert-butyl-1H-pyrazol-4-yl)methanol)
(1-tert-butyl-1H-pyrazol-4-yl)methanol Chemical and Physical Properties
Names and Identifiers
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- 1-(1,1-dimethylethyl)-1H-Pyrazole-4-methanol
- (1-tert-butyl-1H-pyrazol-4-yl)methanol
- LLFDPQHSIQKDQD-UHFFFAOYSA-N
- (1-t-butyl-1H-pyrazol-4-yl)methanol
- CS-0379587
- EN300-269503
- (1-(tert-Butyl)-1H-pyrazol-4-yl)methanol
- 861135-89-9
- (1-tert-butylpyrazol-4-yl)methanol
- SCHEMBL3765275
- starbld0011922
- AT14453
-
- MDL: MFCD11840198
- Inchi: 1S/C8H14N2O/c1-8(2,3)10-5-7(6-11)4-9-10/h4-5,11H,6H2,1-3H3
- InChI Key: LLFDPQHSIQKDQD-UHFFFAOYSA-N
- SMILES: OCC1C=NN(C=1)C(C)(C)C
Computed Properties
- Exact Mass: 154.110613074g/mol
- Monoisotopic Mass: 154.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 131
- 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
- XLogP3: 0.2
- Topological Polar Surface Area: 38?2
(1-tert-butyl-1H-pyrazol-4-yl)methanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-269503-0.05g |
(1-tert-butyl-1H-pyrazol-4-yl)methanol |
861135-89-9 | 95.0% | 0.05g |
$162.0 | 2025-03-20 | |
| Enamine | EN300-269503-0.1g |
(1-tert-butyl-1H-pyrazol-4-yl)methanol |
861135-89-9 | 95.0% | 0.1g |
$241.0 | 2025-03-20 | |
| Enamine | EN300-269503-0.25g |
(1-tert-butyl-1H-pyrazol-4-yl)methanol |
861135-89-9 | 95.0% | 0.25g |
$347.0 | 2025-03-20 | |
| Enamine | EN300-269503-0.5g |
(1-tert-butyl-1H-pyrazol-4-yl)methanol |
861135-89-9 | 95.0% | 0.5g |
$546.0 | 2025-03-20 | |
| Enamine | EN300-269503-1.0g |
(1-tert-butyl-1H-pyrazol-4-yl)methanol |
861135-89-9 | 95.0% | 1.0g |
$699.0 | 2025-03-20 | |
| Enamine | EN300-269503-2.5g |
(1-tert-butyl-1H-pyrazol-4-yl)methanol |
861135-89-9 | 95.0% | 2.5g |
$1370.0 | 2025-03-20 | |
| Enamine | EN300-269503-5.0g |
(1-tert-butyl-1H-pyrazol-4-yl)methanol |
861135-89-9 | 95.0% | 5.0g |
$2028.0 | 2025-03-20 | |
| Enamine | EN300-269503-10.0g |
(1-tert-butyl-1H-pyrazol-4-yl)methanol |
861135-89-9 | 95.0% | 10.0g |
$3007.0 | 2025-03-20 | |
| AstaTech | AT14453-0.1/G |
(1-(TERT-BUTYL)-1H-PYRAZOL-4-YL)METHANOL |
861135-89-9 | 95% | 0.1g |
$185 | 2023-09-19 | |
| AstaTech | AT14453-0.25/G |
(1-(TERT-BUTYL)-1H-PYRAZOL-4-YL)METHANOL |
861135-89-9 | 95% | 0.25g |
$265 | 2023-09-19 |
(1-tert-butyl-1H-pyrazol-4-yl)methanol Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
Additional information on (1-tert-butyl-1H-pyrazol-4-yl)methanol
Introduction to Compound CAS No. 861135-89-9: (1-tert-butyl-1H-pyrazol-4-yl)methanol
(1-tert-butyl-1H-pyrazol-4-yl)methanol, identified by the CAS registry number 861135-89-9, is a chemical compound that has garnered significant attention in recent years due to its unique structural properties and potential applications in various fields. This compound belongs to the class of pyrazoles, which are five-membered aromatic heterocycles containing two adjacent nitrogen atoms. The presence of a tert-butyl group and a methanol substituent in its structure contributes to its distinct chemical and physical properties.
The synthesis of (1-tert-butyl-1H-pyrazol-4-yl)methanol involves a series of carefully designed reactions, often employing catalytic methods or multi-component reactions. Recent advancements in catalytic asymmetric synthesis have enabled the efficient production of this compound with high enantiomeric excess, making it more accessible for research and industrial applications. The tert-butyl group plays a crucial role in stabilizing the molecule through steric effects, while the hydroxymethyl group introduces hydrophilic properties, enhancing its solubility in polar solvents.
One of the most promising applications of this compound lies in the field of drug discovery. Pyrazoles are known for their ability to act as ligands in metalloenzyme inhibition, and the addition of a tert-butyl group further enhances this property. Recent studies have demonstrated that (1-tert-butyl-1H-pyrazol-4-yl)methanol exhibits potent inhibitory activity against certain kinases, making it a potential candidate for anti-cancer drug development. Furthermore, its hydroxymethyl group allows for easy functionalization, enabling researchers to explore various derivatives with enhanced bioactivity.
In addition to its biological applications, this compound has also found utility in materials science. The pyrazole ring's aromaticity and electron-withdrawing properties make it suitable for use in organic electronics. Recent research has focused on incorporating (1-tert-butyl-1H-pyrazol-4-yl)methanol into polymer frameworks to enhance their electrical conductivity and thermal stability. These findings highlight its potential as a building block for advanced materials with applications in flexible electronics and energy storage devices.
The environmental impact of (1-tert-butyl-1H-pyrazol-4-yl)methanol has also been a subject of recent investigation. Studies have shown that this compound exhibits low toxicity towards aquatic organisms, suggesting its potential as an eco-friendly alternative to traditional chemicals used in agriculture and industry. However, further research is required to fully understand its long-term environmental effects and degradation pathways.
In conclusion, (1-tert-butyl-1H-pyrazol-4-yllmethanol, with its unique chemical structure and versatile properties, represents a valuable addition to the arsenal of compounds available for scientific exploration. Its applications span across drug discovery, materials science, and environmental chemistry, underscoring its importance as a multi-functional chemical entity. As research continues to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly significant role in advancing technological and medical frontiers.
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