Cas no 3951-89-1 (7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one)

7-Bromo-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one is a brominated heterocyclic compound featuring a benzazepinone core structure. This intermediate is valuable in organic synthesis, particularly in pharmaceutical research, due to its functionalized aromatic and cyclic amide moieties. The bromine substituent enhances reactivity, enabling further derivatization via cross-coupling or nucleophilic substitution reactions. Its rigid scaffold is useful for constructing biologically active molecules, including CNS-targeting compounds. The compound exhibits high purity and stability under standard conditions, making it suitable for precise synthetic applications. Researchers prioritize it for its versatility in medicinal chemistry, where it serves as a key precursor for developing novel therapeutic agents. Proper handling under inert conditions is recommended to preserve its integrity.
7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one structure
3951-89-1 structure
Product Name:7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one
CAS No:3951-89-1
MF:C10H10BrNO
MW:240.09650182724
MDL:MFCD02168781
CID:304902
PubChem ID:22329108
Update Time:2025-11-02

7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one Chemical and Physical Properties

Names and Identifiers

    • 7-Bromo-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
    • 5H-1-Benzazepin-5-one, 7-bromo-1,2,3,4-tetrahydro-
    • 7-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one
    • 7-Bromo-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
    • 7-BROMO-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE,
    • 7-Brom-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin
    • 7-Bromo-1,2,3,4-tetrahydro-benzo[b]azepin-5-one
    • MFCD02168781
    • AB10949
    • E76325
    • 5H-1-Benzazepin-5-one,7-bromo-1,2,3,4-tetrahydro-
    • 7-BROMO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-5-ONE
    • 7-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine-5-one
    • 7-bromo-1,2,3,4-tetrahydro-benzo[b]azepin-5-one, AldrichCPR
    • 7-Bromo-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
    • 3951-89-1
    • XIFKOJPBXZKSAZ-UHFFFAOYSA-N
    • Oprea1_465994
    • 7-bromo-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one
    • A873639
    • CS-0149474
    • AKOS016007325
    • DTXSID40624880
    • SCHEMBL6339024
    • SY290357
    • 9Q8XT5UMR9
    • 7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one
    • MDL: MFCD02168781
    • Inchi: 1S/C10H10BrNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,12H,1-2,5H2
    • InChI Key: XIFKOJPBXZKSAZ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=1)C(CCCN2)=O

Computed Properties

  • Exact Mass: 238.99500
  • Monoisotopic Mass: 238.99458g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.5±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 370.2±41.0 °C at 760 mmHg
  • Flash Point: 177.7±27.6 °C
  • PSA: 29.10000
  • LogP: 2.97550
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:3951-89-1)7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one
Order Number:A873639
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:40
Price ($):504.0

Additional information on 7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one

7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one (CAS No. 3951-89-1): A Comprehensive Overview

7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one (CAS No. 3951-89-1) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This brominated benzazepinone derivative is widely recognized for its unique structural properties and potential applications in drug discovery. With the increasing demand for novel heterocyclic compounds in medicinal chemistry, 7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one stands out as a valuable intermediate for synthesizing biologically active molecules.

The molecular structure of 7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one features a benzazepine core with a bromine substituent at the 7-position, making it particularly useful for further functionalization. Researchers frequently search for "benzazepine derivatives" and "brominated heterocycles" due to their relevance in developing central nervous system (CNS) targeting compounds. The compound's CAS No. 3951-89-1 serves as a critical identifier for procurement and regulatory compliance in global markets.

In recent years, the pharmaceutical industry has shown growing interest in 7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one as a building block for potential dopamine receptor modulators. This aligns with current trends in neurodegenerative disease research, where scientists are actively investigating "small molecule therapies for Parkinson's" and "novel CNS drug candidates." The compound's structural features allow for precise modifications to enhance blood-brain barrier permeability – a key consideration in modern neuropharmacology.

The synthetic versatility of 7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one makes it valuable for creating diverse chemical libraries through cross-coupling reactions. Many researchers inquire about "palladium-catalyzed reactions with bromobenzazepines" and "structure-activity relationship studies" involving this scaffold. Its crystalline form and well-defined melting point (typically 145-148°C) facilitate purification and characterization processes in laboratory settings.

From a commercial perspective, CAS No. 3951-89-1 has seen steady demand from contract research organizations and academic institutions. Market analysts note increased searches for "high-purity benzazepinone suppliers" and "custom synthesis of brominated heterocycles," reflecting the compound's importance in contemporary drug discovery pipelines. Proper storage recommendations (typically 2-8°C in amber glass containers) are frequently requested by purchasers to maintain compound stability.

Environmental and safety considerations for 7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one follow standard laboratory chemical handling protocols. While not classified as highly hazardous, appropriate personal protective equipment (PPE) including gloves and safety goggles should be used when handling this material. These precautions address common search queries about "safe handling of brominated compounds" and "laboratory best practices for heterocyclic synthesis."

The analytical characterization of 7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one typically involves techniques such as HPLC, NMR (1H and 13C), and mass spectrometry. Researchers often look for "NMR reference data for benzazepinones" and "HPLC methods for purity analysis," highlighting the need for comprehensive technical documentation. The compound's distinct spectroscopic signatures facilitate its identification in complex reaction mixtures.

Looking toward future applications, 7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one shows promise in developing new classes of psychotherapeutic agents. This aligns with emerging trends in "precision psychiatry" and "next-generation neuropharmaceuticals." The bromine atom's strategic position enables diverse derivatization pathways, making this compound particularly valuable for structure-based drug design approaches that dominate modern medicinal chemistry.

For researchers considering CAS No. 3951-89-1 for their projects, several commercial suppliers offer this compound with varying purity grades (typically 95-98%). Common purchaser inquiries include "bulk pricing for research chemicals" and "custom synthesis scale-up options." The global distribution network for this specialty chemical continues to expand, particularly serving pharmaceutical hubs in North America, Europe, and Asia.

In summary, 7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one represents an important tool for medicinal chemists exploring the therapeutic potential of benzazepine derivatives. Its combination of synthetic accessibility and structural features addresses numerous current research needs, from CNS drug development to chemical biology probes. As the scientific community continues to investigate "new heterocyclic scaffolds for drug discovery," this compound will likely maintain its relevance in cutting-edge pharmaceutical research.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:3951-89-1)7-Bromo-1,2,3,4-tetrahydro-5h-1-benzazepin-5-one
A873639
Purity:99%
Quantity:5g
Price ($):504.0
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