Lot numbers can be found on the outside label of a product:
Benzyl 4-oxoazepane-1-carboxylate
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CAS No. 83621-33-4
- Cat. No. CS-W006808
- Purity≥97%
- MDL No.MFCD03788442
*For research and further manufacturing use only, not for direct human use.
Structure of 83621-33-4
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General Information
- CAS No. 83621-33-4
- Cat. No. CS-W006808
- Purity ≥97%
- MDL No. MFCD03788442
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₁₇NO₃
- Molecular Weight 247.29
- Synonym(s) PERHYDROAZEPIN-4-ONE, N-CBZ PROTECTED
- SMILES O=C1CCCN(CC1)C(=O)OCC2=CC=CC=C2
Description
Benzyl 4-oxoazepane-1-carboxylate features a seven-membered azepane ring with a ketone at the C4 position and a benzyl ester at C1, providing a versatile scaffold for synthetic transformations. This bench-stable, moisture-tolerant compound integrates readily into complex molecular architectures, enabling efficient access to nitrogen-containing heterocycles through selective reduction or nucleophilic addition reactions.
Application
Benzyl 4-oxoazepane-1-carboxylate serves as a versatile scaffold for the synthesis of nitrogen-containing heterocycles, particularly in medicinal chemistry and process development. The ketone functionality at C4 enables diverse transformations including reductive amination, nucleophilic addition, and enolate-mediated functionalization. Its benzyl ester group offers convenient orthogonal protection and facile deprotection under standard hydrogenolysis conditions. The compound exhibits good bench stability and is compatible with a range of reaction conditions, facilitating efficient access to complex molecular architectures.
Synthesis
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Route1
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In-stock
31696-09-0 - ~72%
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In-stock
83621-33-4
References
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PHARMACIA and UPJOHN COMPANY Patent: EP1173440 B1, 2004 ; Location in patent: Page 11 ; EP 1173440 B1
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Route2
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105416-56-6 -
501-53-1 - ~69%
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In-stock
83621-33-4
References
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SEPRACOR INC.; BURDI, Douglas; SPEAR, Kerry, L.; HARDY, Larry, Wendell Patent: WO2010/114971 A1, 2010 ; Location in patent: Page/Page column 156 ;
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Route3
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19099-93-5
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In-stock
83621-33-4
References
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Chemistry - A European Journal, , vol. 18, # 38 p. 11889 - 11893
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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.61
- LogP 2.3782
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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