Lot numbers can be found on the outside label of a product:
7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
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CAS No. 160129-45-3
- Cat. No. CS-W003331
- Purity≥97%
- MDL No.MFCD06738694
*For research and further manufacturing use only, not for direct human use.
![7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one|CS-W003331](https://file.chemscene.com/productPIC/CS-W003331.gif)
Structure of 160129-45-3
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General Information
- CAS No. 160129-45-3
- Cat. No. CS-W003331
- Purity ≥97%
- MDL No. MFCD06738694
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₀ClNO
- Molecular Weight 195.65
- Synonym(s) 7-Chloro-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
- SMILES O=C(CCCN1)C2=C1C=CC(Cl)=C2
Description
7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one is a nitrogen-containing heterocycle featuring a chlorinated benzene ring fused to a saturated azepine core. This scaffold delivers structural rigidity and enhanced metabolic stability, enabling direct incorporation into medicinal chemistry libraries. The electron-withdrawing chlorine substituent modulates reactivity at the adjacent carbonyl group, facilitating selective transformations in synthetic pathways.
Application
7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard functionalization at the carbonyl and aromatic positions. Its bench-stable nature, combined with tolerance to common reaction conditions, facilitates downstream transformations such as reductive amination, nucleophilic substitution, and coupling reactions, making it valuable for the synthesis of CNS-targeted compounds and kinase inhibitors.
Synthesis
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Route1
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![7-Chloro-1-tosyl-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one|CS-0149405](https://file.chemscene.com/productPIC/CS-0149405.gif)
193686-76-9 - ~89%
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In-stock
160129-45-3
References
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OTSUKA PHARMACEUTICAL CO., LTD. Patent: WO2007/26971 A2, 2007 ; Location in patent: Page/Page column 28 ;
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Route2
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In-stock
5202-89-1 - ~%
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In-stock
160129-45-3
References
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Bioorganic and Medicinal Chemistry, , vol. 7, # 8 p. 1743 - 1754
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Route3
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In-stock
2516-95-2 - ~%
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In-stock
160129-45-3
References
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Bioorganic and Medicinal Chemistry, , vol. 7, # 8 p. 1743 - 1754
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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 29.1
- LogP 2.7284
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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