Lot numbers can be found on the outside label of a product:
1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one
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CAS No. 4424-80-0
- Cat. No. CS-D0727
- Purity≥97%
- MDL No.MFCD00024149
*For research and further manufacturing use only, not for direct human use.
Structure of 4424-80-0
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General Information
- CAS No. 4424-80-0
- Cat. No. CS-D0727
- Purity ≥97%
- MDL No. MFCD00024149
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₁NO
- Molecular Weight 161.20
- Synonym(s) TetrahydroBenzazepin-2-One
- SMILES O=C1NC2=CC=CC=C2CCC1
Description
This tetrahydrobenzazepinone scaffold features a fused bicyclic core with a lactam functionality, offering a rigid, electron-deficient platform ideal for probing receptor binding sites. The structure integrates seamlessly into CNS-targeted compound libraries and supports efficient derivatization at the carbonyl position.
Application
1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one serves as a versatile scaffold in medicinal chemistry, enabling the synthesis of bioactive compounds through standard functionalization at the carbonyl and aromatic positions. Its stable, planar core supports diverse transformations including reduction, amidation, and electrophilic substitution, while its inherent solubility and bench stability facilitate straightforward purification and scale-up in multi-step syntheses.
Synthesis
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Route1
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In-stock
529-34-0 - ~10%
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In-stock
4424-80-0
References
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WARNER-LAMBERT COMPANY LLC Patent: WO2004/69245 A1, 2004 ; Location in patent: Page/Page column 104 ;
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Route2
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3349-64-2 - ~97%
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In-stock
4424-80-0
References
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Merck and Co., Inc. Patent: US5583130 A1, 1996 ;
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Route3
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68253-36-1 - ~99%
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In-stock
4424-80-0
References
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De Luca, Lidia; Giacomelli, Giampaolo; Porcheddu, Andrea Journal of Organic Chemistry, 2002 , vol. 67, # 17 p. 6272 - 6274
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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 1.9614
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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