1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one

Name: 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one
Brand: ChemScene
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CAS No. 4424-80-0
Cat. No. CS-D0727
Purity≥97%
MDL No.MFCD00024149

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one|CS-D0727

Structure of 4424-80-0

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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.

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

Computational Chemistry Data

TPSA 29.1
LogP 1.9614
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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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Key Words

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1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one

CAS No. 4424-80-0

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