Cas no 20628-09-5 (Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-)

Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- is a specialized organic compound featuring a benzopyran core substituted with methoxy and dimethyl groups at the 7- and 2-positions, respectively, and an ethanone moiety at the 6-position. This structure imparts unique reactivity and potential utility in synthetic chemistry, particularly in the development of pharmaceuticals or fine chemicals. The methoxy group enhances solubility and electronic properties, while the dimethyl substitution contributes to steric stability. Its well-defined molecular framework makes it a valuable intermediate for constructing complex heterocyclic systems or studying structure-activity relationships in bioactive molecules. The compound's purity and consistency are critical for reproducible results in research applications.
Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- structure
20628-09-5 structure
Product Name:Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
CAS No:20628-09-5
MF:C14H16O3
MW:232.275044441223
CID:285867
PubChem ID:114703
Update Time:2025-06-25

Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
    • Encecalin
    • 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethanone
    • 6-Acetyl-7-methoxy-2
    • [ "6-Acetyl-7-methoxy-2", "2-dimethylchromene" ]
    • SCHEMBL4310132
    • DTXSID90942824
    • 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone; Encecalin; NSC 603929
    • CS-0024253
    • Ketone, 7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl methyl
    • Encecalin (methyleupatoriochromene)
    • C09005
    • CHEBI:4789
    • 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethanone
    • AC1L3FTK
    • CHEMBL451983
    • 1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanone
    • NSC-603929
    • AKOS032948499
    • 1-(7-Methoxy-2,2-dimethyl-2H-chromen-6-yl)ethan-1-one
    • 1-(7-methoxy-2,2-dimethyl-2h-chromen-6-yl)ethanone
    • AC1Q5GA2
    • WXVLCNREBFDEKS-UHFFFAOYSA-N
    • ACon1_002222
    • 20628-09-5
    • 6-acetyl-7-methoxy-2,2-dimethylchromene
    • FS-9538
    • MEGxp0_001567
    • NSC603929
    • 1-(7-Methoxy-2,2-dimethyl-2H-chromen-6-yl)-ethanone
    • Q27106480
    • HY-N3805
    • NSC 603929
    • 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-one
    • DA-52889
    • Inchi： 1S/C14H16O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-8H,1-4H3
    • InChI Key： WXVLCNREBFDEKS-UHFFFAOYSA-N
    • SMILES： O1C2C=C(C(C(C)=O)=CC=2C=CC1(C)C)OC

Computed Properties

  • Exact Mass: 232.10998
  • Monoisotopic Mass: 232.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 332
  • 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
  • Topological Polar Surface Area: 35.5A^2
  • XLogP3: 2.5

Experimental Properties

  • Color/Form: Oil
  • Density: 1.082
  • Boiling Point: 367.7°C at 760 mmHg
  • Flash Point: 167.6°C
  • Refractive Index: 1.524
  • PSA: 35.53
  • LogP: 3.08200
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- Security Information

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Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- Suppliers

Amadis Chemical Company Limited
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(CAS:20628-09-5)Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
Order Number:A1246243
Stock Status:in Stock
Quantity:5mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 21:29
Price ($):176

Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- Related Literature

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Additional information on Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-

Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-: A Comprehensive Overview

Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-, also known by its CAS number 20628-09-5, is a complex organic compound with significant applications in various fields. This compound is characterized by its unique structure, which includes a benzopyran ring system substituted with methoxy and methyl groups. The ethanone functional group further enhances its chemical reactivity and versatility.

The benzopyran moiety in this compound plays a crucial role in its properties and applications. Benzopyrans are known for their aromatic stability and ability to participate in various chemical reactions. The presence of the methoxy group at the 7-position introduces electron-donating effects, which can influence the compound's reactivity and solubility. Additionally, the two methyl groups at the 2-position of the benzopyran ring contribute to steric effects, potentially affecting the compound's conformation and interactions with other molecules.

Recent studies have highlighted the potential of Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- in drug discovery and development. Researchers have explored its ability to act as a scaffold for designing bioactive molecules. For instance, its structure has been utilized in the creation of compounds with anti-inflammatory and antioxidant properties. These findings underscore the importance of understanding the compound's molecular interactions and pharmacokinetic behavior.

Moreover, Ethanone derivatives have shown promise in materials science applications. The compound's ability to form stable complexes with metal ions has led to investigations into its use in coordination chemistry and catalysis. Its unique electronic properties make it a candidate for applications in organic electronics, such as semiconductors and light-emitting materials.

In terms of synthesis, Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- can be prepared through various routes, including condensation reactions and cyclization processes. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions. For example, the use of transition metal catalysts has enabled the synthesis of this compound with high purity and yield.

The compound's stability under different conditions is another area of active research. Studies have shown that Ethanone derivatives exhibit varying degrees of stability depending on their substituents and environmental factors such as temperature and pH. Understanding these factors is critical for optimizing storage conditions and ensuring the compound's reliability in industrial applications.

In conclusion, Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- is a versatile compound with a wide range of potential applications. Its unique structure and reactivity make it an interesting target for researchers across multiple disciplines. As ongoing studies continue to uncover new insights into its properties and uses, this compound is poised to play an increasingly important role in both academic research and industrial development.

20628-09-5 (Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-) Related Products

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Amadis Chemical Company Limited
(CAS:20628-09-5)Ethanone,1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
A1246243
Purity:99%
Quantity:5mg
Price ($):176
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