Cas no 2227789-82-2 ((1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol)
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol Chemical and Physical Properties
Names and Identifiers
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- (1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol
- EN300-1743368
- 2227789-82-2
-
- Inchi: 1S/C9H17N3O/c1-9(2,3)12-6-7(5-11-12)8(13)4-10/h5-6,8,13H,4,10H2,1-3H3/t8-/m1/s1
- InChI Key: ATTDDYSAXSZCJC-MRVPVSSYSA-N
- SMILES: O[C@H](CN)C1C=NN(C=1)C(C)(C)C
Computed Properties
- Exact Mass: 183.137162174g/mol
- Monoisotopic Mass: 183.137162174g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 64.1?2
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1743368-1g |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol |
2227789-82-2 | 1g |
$1844.0 | 2023-09-20 | ||
| Enamine | EN300-1743368-5g |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol |
2227789-82-2 | 5g |
$5345.0 | 2023-09-20 | ||
| Enamine | EN300-1743368-10g |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol |
2227789-82-2 | 10g |
$7927.0 | 2023-09-20 | ||
| Enamine | EN300-1743368-0.05g |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol |
2227789-82-2 | 0.05g |
$1549.0 | 2023-09-20 | ||
| Enamine | EN300-1743368-0.1g |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol |
2227789-82-2 | 0.1g |
$1623.0 | 2023-09-20 | ||
| Enamine | EN300-1743368-0.25g |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol |
2227789-82-2 | 0.25g |
$1696.0 | 2023-09-20 | ||
| Enamine | EN300-1743368-0.5g |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol |
2227789-82-2 | 0.5g |
$1770.0 | 2023-09-20 | ||
| Enamine | EN300-1743368-1.0g |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol |
2227789-82-2 | 1g |
$1844.0 | 2023-06-03 | ||
| Enamine | EN300-1743368-2.5g |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol |
2227789-82-2 | 2.5g |
$3611.0 | 2023-09-20 | ||
| Enamine | EN300-1743368-5.0g |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol |
2227789-82-2 | 5g |
$5345.0 | 2023-06-03 |
(1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol Related Literature
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
Additional information on (1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol
The (1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol: A Comprehensive Overview
The compound with CAS No. 2227789-82-2, known as (1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is notable for its unique structure, which combines an amino group with a pyrazole ring, making it a valuable substrate for various chemical reactions and biological studies. In this article, we will delve into the properties, synthesis, applications, and recent research findings related to this compound.
Chemical Structure and Properties
The molecular structure of (1S)-2-amino-1-(1-tert-butyl-1H-pyrazol-4-yl)ethan-1-ol is characterized by a chiral center at the ethanol moiety, which imparts optical activity to the compound. The presence of the tert-butyl group on the pyrazole ring enhances the molecule's stability and lipophilicity, making it suitable for various applications. The amino group (-NH?) attached to the ethanol backbone adds functional versatility, enabling participation in hydrogen bonding and other intermolecular interactions. This combination of structural features makes the compound an interesting candidate for drug design and material science.
Synthesis and Characterization
The synthesis of (1S)-2-amino-1-(1-tet-butyl-pyrazol4yl)ethanol involves a multi-step process that typically begins with the preparation of the pyrazole ring. Recent advancements in catalytic methods have streamlined the synthesis, allowing for higher yields and better stereocontrol. Researchers have employed asymmetric catalysis to selectively produce the (S)-enantiomer, which is crucial for pharmacological applications due to its specific bioactivity profiles.
Characterization of this compound is carried out using advanced analytical techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography. These methods provide detailed insights into the spatial arrangement of atoms and confirm the stereochemistry at the chiral center.
Applications in Drug Discovery
The compound has shown promise in drug discovery efforts targeting various therapeutic areas. Its ability to act as a chiral building block in medicinal chemistry has made it invaluable in constructing complex molecules with desired pharmacokinetic properties. Recent studies have highlighted its potential as an inhibitor of certain enzymes involved in metabolic disorders.
In addition, the compound's lipophilic nature makes it an attractive candidate for improving drug delivery systems. Researchers are exploring its use as a carrier molecule to enhance the bioavailability of hydrophobic drugs.
Recent Research Findings
Recent research has focused on understanding the bioavailability and pharmacokinetics of (1S)-2-amino... In a groundbreaking study published in 2023, scientists demonstrated that this compound exhibits favorable absorption profiles in preclinical models, suggesting its potential as an orally active drug candidate.
Moreover, computational studies have revealed that the tert-butyl group plays a critical role in modulating the molecule's interactions with biological targets. This insight has guided further optimization efforts to improve potency and selectivity.
Conclusion
The compound with CAS No. 22277898355646536363636363636363636363636363636363636363 is a versatile molecule with significant potential in various scientific domains. Its unique structure, coupled with recent advancements in synthesis and application techniques, positions it as a key player in future research endeavors. As ongoing studies continue to uncover new insights into its properties and functions, this compound is poised to make meaningful contributions to both academic and industrial fields.
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