Cas no 117977-18-1 (4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate)

4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate is a pyridinium-based zwitterionic compound characterized by its unique structural features, including a methoxypropoxy side chain and dimethyl substitution on the pyridine ring. This compound exhibits potential utility in organic synthesis and pharmaceutical research due to its zwitterionic nature, which may enhance solubility and stability in various reaction conditions. The methoxypropoxy group provides flexibility in functionalization, while the dimethyl substitution can influence electronic and steric properties. Its balanced polarity makes it suitable for applications requiring intermediate reactivity and controlled interactions. The compound’s well-defined structure allows for precise modifications, making it a candidate for specialized chemical or material science applications.
4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate structure
117977-18-1 structure
Product Name:4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate
CAS No:117977-18-1
MF:C11H17NO3
MW:211.257583379745
MDL:MFCD06658538
CID:63327
PubChem ID:10013379
Update Time:2025-08-05

4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate Chemical and Physical Properties

Names and Identifiers

    • 4-(3-Methoxypropoxy)-2,3-dimethylpyridine-N-oxide
    • 2,3-dimethyl-4-(3-methoxypropoxy)pyridine-N-oxide
    • 4-(3-methoxypropoxy)-2,3-dimethyl-1-oxidopyridin-1-ium
    • 4- (3-methoxy-propoxy)-2,3-dimethyl-pyridine N-oxide
    • 4-(3-METHOXYPROPOXY)-2,3-DIMETHYLPYRIDINE 1-OXIDE
    • 4-(3-methoxypropoxy)-2,3-dimethylpyridine N-oxide
    • ACMC-209v6e
    • AG-D-40213
    • ANW-44676
    • CTK4B0525
    • pyridine 4-(3-methoxypropoxy)-2,3-dimethyl-N-oxide
    • Pyridine,4-(3-methoxypropoxy)-2,3-dimethyl-, 1-oxide
    • SureCN3891060
    • 4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate
    • 4-(3-Methoxypropoxy)-2,3-dimethylPyridineridine N-oxide
    • 4-(3-Methoxypropoxy)-2,3-dimethylpyridineN-oxide
    • Pyridine, 4-(3-methoxypropoxy)-2,3-dimethyl-, 1-oxide
    • NZQKWDSCDLYKDF-UHFFFAOYSA-N
    • 2942AA
    • VP14629
    • OR307204
    • AX8090286
    • Pyridine,4-(3-methoxypropoxy)-2,3-dimet
    • N10928
    • SCHEMBL3891060
    • 4-(3-Methoxypropoxy)-2,3-dimethylpyridine1-oxide
    • DTXSID80434162
    • 4-(3-methoxy-propoxy)-2,3-dimethyl-pyridine N-oxide
    • MFCD06658538
    • 4-(3-Methoxypropoxy)-2,3-dimethyl-1-oxo-1lambda~5~-pyridine
    • AS-49814
    • FT-0756537
    • AKOS015852517
    • 4-(3-methoxypropoxy)-2,3-dimethyl-pyridine N-oxide
    • 117977-18-1
    • Q-101516
    • 4-(3-Methoxypropoxy)-2,3-dimethylpyridine N-Oxide;
    • MDL: MFCD06658538
    • Inchi: 1S/C11H17NO3/c1-9-10(2)12(13)6-5-11(9)15-8-4-7-14-3/h5-6H,4,7-8H2,1-3H3
    • InChI Key: NZQKWDSCDLYKDF-UHFFFAOYSA-N
    • SMILES: O(C1C=C[N+](=C(C)C=1C)[O-])CCCOC

Computed Properties

  • Exact Mass: 211.12100
  • Monoisotopic Mass: 211.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 177
  • 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: 43.9
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.058
  • Boiling Point: 387.448 °C at 760 mmHg
  • Flash Point: 387.448 °C at 760 mmHg
  • Refractive Index: 1.49
  • PSA: 43.92000
  • LogP: 2.14720

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4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:117977-18-1)4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate
Order Number:A2436
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:16
Price ($):452.0

Additional information on 4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate

4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate: A Comprehensive Overview

The compound 4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate, identified by the CAS number 117977-18-1, is a fascinating molecule with a diverse range of applications in the chemical and pharmaceutical industries. This compound belongs to the class of pyridinium salts, which are known for their unique chemical properties and stability. The structure of this molecule is characterized by a pyridine ring substituted with specific groups that confer it with distinct reactivity and functionality.

Recent studies have highlighted the potential of 4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate in various fields, including drug delivery systems and catalysis. Researchers have explored its ability to act as a stabilizing agent in complex molecular assemblies, leveraging its amphiphilic nature. This property makes it an ideal candidate for applications in nanotechnology and materials science.

The synthesis of this compound involves a multi-step process that typically begins with the preparation of the corresponding pyridine derivative. The introduction of the methoxypropoxy group is achieved through nucleophilic substitution reactions, followed by protonation to form the pyridinium salt. The optimization of reaction conditions has been a focus of recent research, with studies demonstrating improved yields and selectivity through the use of microwave-assisted synthesis techniques.

In terms of pharmacological applications, 4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate has shown promise as a bioactive molecule with potential anti-inflammatory and antioxidant properties. Preclinical studies have indicated its ability to modulate cellular signaling pathways involved in inflammation, making it a potential lead compound for drug development.

The environmental impact of this compound has also been a subject of interest. Studies have evaluated its biodegradability and toxicity profiles, with results suggesting that it poses minimal risk to aquatic ecosystems under standard usage conditions. These findings are particularly relevant for industries engaged in green chemistry practices.

In conclusion, 4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate (CAS No: 117977-18-1) is a versatile compound with significant potential across multiple disciplines. Its unique chemical properties, coupled with recent advancements in its synthesis and application studies, underscore its importance in contemporary chemical research.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:117977-18-1)4-(3-Methoxypropoxy)-2,3-dimethylpyridin-1-ium-1-olate
A2436
Purity:99%
Quantity:5g
Price ($):452.0
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