Lot numbers can be found on the outside label of a product:
Azepane-2-carboxylic acid
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CAS No. 5227-53-2
- Cat. No. CS-0054144
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 5227-53-2
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General Information
- CAS No. 5227-53-2
- Cat. No. CS-0054144
- Purity ≥97%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₃NO₂
- Molecular Weight 143.18
- Synonym(s) Azepine-2-carboxylicacid, hexahydro-
- SMILES O=C(C1NCCCCC1)O
Description
Azepane-2-carboxylic acid delivers a rigid, nitrogen-rich heterocyclic scaffold with enhanced solubility and metabolic stability. This bench-stable carboxylic acid integrates readily into medicinal chemistry campaigns, serving as a strategic building block for bioactive molecule design.
Application
Azepane-2-carboxylic acid serves as a versatile scaffold in medicinal chemistry, enabling the construction of nitrogen-containing heterocycles through standard functional group transformations. Its carboxylic acid functionality facilitates amide coupling and esterification, while the saturated seven-membered ring offers conformational stability and favorable pharmacokinetic properties. The compound exhibits good bench stability and is compatible with common protecting group strategies, making it a practical building block for API development and library synthesis.
Synthesis
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Route1
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1340116-86-0 - ~%
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In-stock
5227-53-2
References
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ELAN PHARMACEUTICALS, INC.; GALEMMO, Robert, A., Jr.; ARTIS, Dean, Richard; YE, Xiaocong, Michael; AUBELE, Danielle, L.; TRUONG, Anh, P.; BOWERS, Simeon; HOM, Roy, K.; ZHU, Yong-Liang; NEITZ, R., Jeffrey; SEALY, Jennifer; ADLER, Marc; BEROZA, Paul; ANDERSON, John, P. Patent: WO2011/79114 A1, 2011 ; Location in patent: Page/Page column 73; 74 ; WO 2011/079114 A1
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Route2
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502-42-1 - ~%
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In-stock
5227-53-2
References
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ELAN PHARMACEUTICALS, INC.; GALEMMO, Robert, A., Jr.; ARTIS, Dean, Richard; YE, Xiaocong, Michael; AUBELE, Danielle, L.; TRUONG, Anh, P.; BOWERS, Simeon; HOM, Roy, K.; ZHU, Yong-Liang; NEITZ, R., Jeffrey; SEALY, Jennifer; ADLER, Marc; BEROZA, Paul; ANDERSON, John, P. Patent: WO2011/79114 A1, 2011 ; WO 2011/079114 A1
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Route3
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In-stock
673-66-5 - ~%
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In-stock
5227-53-2
References
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ELAN PHARMACEUTICALS, INC.; GALEMMO, Robert, A., Jr.; ARTIS, Dean, Richard; YE, Xiaocong, Michael; AUBELE, Danielle, L.; TRUONG, Anh, P.; BOWERS, Simeon; HOM, Roy, K.; ZHU, Yong-Liang; NEITZ, R., Jeffrey; SEALY, Jennifer; ADLER, Marc; BEROZA, Paul; ANDERSON, John, P. Patent: WO2011/79114 A1, 2011 ; WO 2011/079114 A1
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 49.33
- LogP 0.6032
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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