Cas no 760936-21-8 ((7-chloro-1,3-dioxaindan-5-yl)methanamine)

(7-Chloro-1,3-dioxaindan-5-yl)methanamine is a heterocyclic amine derivative featuring a chloro-substituted 1,3-dioxaindane core. This compound is of interest in synthetic and medicinal chemistry due to its structural motif, which may serve as a versatile intermediate for the development of pharmacologically active molecules. The presence of the chloro group enhances reactivity for further functionalization, while the dioxaindane scaffold offers stability and potential for selective interactions. Its amine functionality allows for straightforward derivatization, making it valuable for constructing diverse chemical libraries. The compound's well-defined structure and synthetic accessibility support its utility in research applications, particularly in the exploration of novel bioactive compounds.
(7-chloro-1,3-dioxaindan-5-yl)methanamine structure
760936-21-8 structure
Product Name:(7-chloro-1,3-dioxaindan-5-yl)methanamine
CAS No:760936-21-8
MF:C8H8ClNO2
MW:185.607621192932
CID:549947
PubChem ID:15548034
Update Time:2025-05-23

(7-chloro-1,3-dioxaindan-5-yl)methanamine Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzodioxole-5-methanamine,7-chloro-
    • (7-chloro-1,3-benzodioxol-5-yl)methanamine
    • 7-CHLORO-1,3-BENZODIOXOLE-5-METHANAMINE
    • (7-chloro-1,3-dioxaindan-5-yl)methanamine
    • A838607
    • AKOS009132213
    • EN300-112029
    • 760936-21-8
    • SCHEMBL354108
    • DTXSID20573968
    • CHEMBL4542769
    • CS-0222630
    • 1-(7-Chloro-2H-1,3-benzodioxol-5-yl)methanamine
    • FT-0695698
    • Inchi: 1S/C8H8ClNO2/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-2H,3-4,10H2
    • InChI Key: DDZWYYBOSTUQHG-UHFFFAOYSA-N
    • SMILES: ClC1=CC(CN)=CC2=C1OCO2

Computed Properties

  • Exact Mass: 185.02400
  • Monoisotopic Mass: 185.0243562g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 167
  • 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: 1.2
  • Topological Polar Surface Area: 44.5?2

Experimental Properties

  • PSA: 44.48000
  • LogP: 2.22770

(7-chloro-1,3-dioxaindan-5-yl)methanamine Pricemore >>

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Additional information on (7-chloro-1,3-dioxaindan-5-yl)methanamine

Introduction to (7-chloro-1,3-dioxaindan-5-yl)methanamine (CAS No. 760936-21-8)

The compound (7-chloro-1,3-dioxaindan-5-yl)methanamine, identified by the CAS number 760936-21-8, is a fascinating molecule with significant potential in various fields of chemistry and pharmacology. This compound belongs to the class of amines and features a unique structure that combines a chlorinated dioxaindane ring with a methanamine group. The dioxaindane framework is a bicyclic structure consisting of a six-membered ring fused with an oxygen-containing five-membered ring, which contributes to its stability and reactivity. The presence of the chlorine atom at the 7-position introduces additional electronic effects, making this compound particularly interesting for synthetic and medicinal chemistry applications.

Recent studies have highlighted the importance of (7-chloro-1,3-dioxaindan-5-yl)methanamine in the development of novel therapeutic agents. Researchers have explored its potential as a building block for constructing bioactive molecules, particularly in the context of drug discovery. The methanamine group attached to the dioxaindane ring provides a site for further functionalization, enabling the creation of derivatives with diverse biological activities. For instance, this compound has been utilized in the synthesis of ligands for G-protein coupled receptors (GPCRs), which are critical targets in pharmaceutical research.

The synthesis of (7-chloro-1,3-dioxaindan-5-yl)methanamine involves a multi-step process that typically begins with the preparation of the dioxaindane core. One common approach involves the cyclization of appropriately substituted amino alcohols under acidic conditions, followed by chlorination at the 7-position. The methanamine group is then introduced via nucleophilic substitution or other suitable methods. This compound's synthesis is not only a testament to the ingenuity of organic chemists but also underscores the importance of structural diversity in drug design.

In terms of pharmacological activity, (7-chloro-1,3-dioxaindan-5-yl)methanamine has shown promise in preclinical studies as a modulator of ion channels and enzymes. Its ability to interact with these targets makes it a valuable tool for investigating disease mechanisms and developing new treatments. For example, recent research has demonstrated its potential as an inhibitor of certain kinases involved in cancer progression. Additionally, its unique structure allows for further modification to enhance bioavailability and efficacy.

The application of (7-chloro-1,3-dioxaindan-5-yl)methanamine extends beyond pharmacology into materials science. Its rigid bicyclic structure and functional groups make it an attractive candidate for use in polymer synthesis and as a component in advanced materials. By incorporating this compound into polymeric frameworks, scientists can create materials with tailored mechanical and electronic properties suitable for applications in electronics and biotechnology.

From an environmental perspective, understanding the degradation pathways and ecological impact of (7-chloro-1,3-dioxaindan-5-yl)methanamine is crucial for ensuring sustainable practices in its production and use. Recent studies have focused on its biodegradation under various conditions, aiming to minimize its environmental footprint while maximizing its benefits in industrial and medical applications.

In conclusion, (7-chloro-1,3-dioxaindan-5-yl)methanamine (CAS No. 760936-21_8) stands out as a versatile compound with wide-ranging applications across multiple disciplines. Its unique structure, combined with recent advancements in synthetic and pharmacological research, positions it as a key player in future innovations within chemistry and medicine.

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