4424-80-0 | 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one

Packsize	Purity	Availability	Price	Discounted Price
1g	>97%	in stock	$15.00	$10.00
5g	98%	in stock	$42.00	$30.00
10g	98%	in stock	$65.00	$45.00
25g	98%	in stock	$145.00	$102.00
100g	98%	in stock	$511.00	$358.00

Description

• Catalog Number: AB57184
• Chemical Name: 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one
• CAS Number: 4424-80-0
• Molecular Formula: C10H11NO
• Molecular Weight: 161.2004
• MDL Number: MFCD00024149
• SMILES: O=C1CCCc2c(N1)cccc2
• NSC Number: 65882

Computed Properties

• Complexity: 179
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• XLogP3: 1.4

Upstream Synthesis Route

1,3,4,5-Tetrahydro-2H-1-Benzazepin-2-One is a versatile compound used in chemical synthesis as a key intermediate in the production of various pharmaceuticals, agrochemicals, and functional materials. With its unique structure and reactivity, this compound serves as a valuable building block in the synthesis of a wide range of complex organic molecules.In chemical synthesis, 1,3,4,5-Tetrahydro-2H-1-Benzazepin-2-One can be employed as a starting material for the construction of heterocyclic compounds, which are prevalent in many biologically active molecules. By undergoing various functional group transformations, such as oxidation, reduction, and substitution reactions, this compound can be elaborated into structurally diverse and complex molecules with specific pharmacological or biological properties.Furthermore, 1,3,4,5-Tetrahydro-2H-1-Benzazepin-2-One can be utilized as a chiral building block for the synthesis of enantiomerically pure compounds. Its functional groups can be selectively modified to introduce chirality, allowing for the creation of enantioenriched products crucial in medicinal chemistry and drug development.Overall, the application of 1,3,4,5-Tetrahydro-2H-1-Benzazepin-2-One in chemical synthesis demonstrates its significance as a versatile intermediate for the efficient and selective construction of complex organic molecules with diverse functionalities and applications.

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

• Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: Quinolin(di)one and benzazepin(di)one derivatives. herve.geneste@abbott.com.

  Bioorganic & medicinal chemistry letters 20060201