Cas no 2387920-49-0 (Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate)
Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 2387920-49-0
- SCHEMBL23223910
- tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
- EN300-27734990
- Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
-
- MDL: MFCD33031741
- Inchi: 1S/C12H23NO2/c1-11(2,3)15-10(14)9-5-7-12(4,13)8-6-9/h9H,5-8,13H2,1-4H3
- InChI Key: VESCBHIAWUVEFQ-UHFFFAOYSA-N
- SMILES: O(C(C)(C)C)C(C1CCC(C)(CC1)N)=O
Computed Properties
- Exact Mass: 213.172878976g/mol
- Monoisotopic Mass: 213.172878976g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 235
- 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: 1.6
- Topological Polar Surface Area: 52.3?2
Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-27734990-1g |
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate |
2387920-49-0 | 1g |
$1100.0 | 2023-09-10 | ||
| Enamine | EN300-27734990-5g |
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate |
2387920-49-0 | 5g |
$3189.0 | 2023-09-10 | ||
| Enamine | EN300-27734990-10g |
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate |
2387920-49-0 | 10g |
$4729.0 | 2023-09-10 | ||
| Enamine | EN300-27734990-0.05g |
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate |
2387920-49-0 | 95.0% | 0.05g |
$924.0 | 2025-03-19 | |
| Enamine | EN300-27734990-0.1g |
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate |
2387920-49-0 | 95.0% | 0.1g |
$968.0 | 2025-03-19 | |
| Enamine | EN300-27734990-0.25g |
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate |
2387920-49-0 | 95.0% | 0.25g |
$1012.0 | 2025-03-19 | |
| Enamine | EN300-27734990-0.5g |
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate |
2387920-49-0 | 95.0% | 0.5g |
$1056.0 | 2025-03-19 | |
| Enamine | EN300-27734990-1.0g |
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate |
2387920-49-0 | 95.0% | 1.0g |
$1100.0 | 2025-03-19 | |
| Enamine | EN300-27734990-2.5g |
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate |
2387920-49-0 | 95.0% | 2.5g |
$2155.0 | 2025-03-19 | |
| Enamine | EN300-27734990-5.0g |
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate |
2387920-49-0 | 95.0% | 5.0g |
$3189.0 | 2025-03-19 |
Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
Additional information on Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
Comprehensive Overview of Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate (CAS No. 2387920-49-0)
Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate (CAS No. 2387920-49-0) is a specialized organic compound widely utilized in pharmaceutical research, agrochemical development, and advanced material synthesis. Its unique structural features, including the tert-butyl ester and 4-amino-4-methylcyclohexane backbone, make it a versatile intermediate for designing bioactive molecules. Researchers and industries value this compound for its stability, solubility, and compatibility with diverse reaction conditions, aligning with the growing demand for high-purity intermediates in drug discovery pipelines.
In recent years, the compound has garnered attention due to its potential applications in central nervous system (CNS) drug development, a hot topic in medicinal chemistry. With increasing searches for "novel cyclohexane derivatives" and "sterically hindered amines in catalysis," this compound addresses key industry needs. Its CAS No. 2387920-49-0 frequently appears in patent literature, particularly in contexts involving chiral synthesis and prodrug formulations, reflecting its relevance in cutting-edge research.
The synthesis of Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate typically involves multi-step protocols, including Boc protection strategies and selective hydrogenation. Analytical techniques like HPLC and NMR are critical for verifying its purity, a concern frequently raised in forum discussions about "quality control for pharmaceutical intermediates." The compound’s logP value and hydrogen-bonding capacity also make it a subject of interest in QSAR studies, a trending area in computational chemistry.
From an industrial perspective, scalability remains a key focus. Searches for "cost-effective Boc-amine synthesis" highlight the need for optimized production methods. The tert-butyl group in this compound offers advantages in protecting group chemistry, a technique widely discussed in organic chemistry communities. Furthermore, its potential role in biodegradable polymer modifiers aligns with sustainability trends, answering queries about "eco-friendly cyclohexane derivatives."
Regulatory compliance is another critical aspect. While not classified as hazardous, proper handling of CAS No. 2387920-49-0 follows standard laboratory safety protocols. The compound’s MSDS data is often requested, emphasizing the industry’s commitment to safety—a recurring theme in "best practices for chemical handling" searches. Its stability under ambient conditions makes it preferable for long-term storage, addressing logistical concerns in global supply chains.
Innovative applications continue to emerge. Recent publications explore its use in metal-organic frameworks (MOFs) and asymmetric catalysis, responding to the surge in searches for "multifunctional cyclohexane scaffolds." The 4-methyl substitution introduces steric effects that are valuable in enantioselective reactions, a focal point in synthetic methodology development. Such features position this compound as a candidate for green chemistry initiatives, another trending topic in scientific discourse.
In conclusion, Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate (CAS No. 2387920-49-0) represents a convergence of synthetic utility and research potential. Its alignment with current interests in drug discovery, sustainable chemistry, and advanced materials ensures its continued relevance. As analytical techniques and synthetic strategies evolve, this compound will likely remain a subject of both academic and industrial exploration.
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