Lot numbers can be found on the outside label of a product:
1,2,3,4-Tetrahydrobenzo[b]azepin-5-one
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CAS No. 1127-74-8
- Cat. No. CS-W003071
- Purity≥97%
- MDL No.MFCD03426404
*For research and further manufacturing use only, not for direct human use.
![1,2,3,4-Tetrahydrobenzo[b]azepin-5-one|CS-W003071](https://file.chemscene.com/productPIC/CS-W003071.gif)
Structure of 1127-74-8
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General Information
- CAS No. 1127-74-8
- Cat. No. CS-W003071
- Purity ≥97%
- MDL No. MFCD03426404
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₁NO
- Molecular Weight 161.20
- Synonym(s) 1,2,3,4-Tetrahydrobenzoazepine-5-one
- SMILES O=C1CCCNc2c1cccc2
Description
1,2,3,4-Tetrahydrobenzo[b]azepin-5-one features a fused bicyclic core with a ketone at the 5-position, offering a rigid, electron-deficient scaffold ideal for medicinal chemistry. This bench-stable heterocycle integrates readily into target-oriented synthesis, serving as a key building block for CNS-targeted therapeutics and kinase inhibitors.
Application
1,2,3,4-Tetrahydrobenzo[b]azepin-5-one serves as a privileged heterocyclic scaffold in medicinal chemistry, enabling efficient access to bioactive compounds through its compatibility with standard functional group transformations. The molecule exhibits bench stability and facilitates downstream derivatization via nucleophilic substitution or reduction, supporting rapid analog generation for target validation and lead optimization.
Synthesis
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Route1
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![1-Tosyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one|CS-W012036](https://file.chemscene.com/productPIC/CS-W012036.gif)
24310-36-9 - ~80%
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In-stock
1127-74-8
References
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FERRING B.V. Patent: WO2006/21213 A2, 2006 ; Location in patent: Page/Page column 34 ; WO 2006/021213 A2
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Route2
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![5-Oxo-1-tosyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine-4-carbonitrile|CS-0737269](https://file.chemscene.com/productPIC/CS-0737269.gif)
68595-19-7 - ~43%
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In-stock
1127-74-8
References
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Tsunoda, Takashi; Yamazaki, Atsuki; Iwamoto, Hidenori; Sakamoto, Shuichi Organic Process Research and Development, 2003 , vol. 7, # 6 p. 883 - 887
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References
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Heterocycles, , vol. 36, # 4 p. 743 - 749
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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 2.075
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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