Cas no 30413-58-2 (2-ethynyl-6-methylpyridine)

2-Ethynyl-6-methylpyridine is a versatile heterocyclic compound featuring an ethynyl group at the 2-position and a methyl group at the 6-position of the pyridine ring. This structure imparts reactivity suitable for cross-coupling reactions, such as Sonogashira or click chemistry, making it valuable in pharmaceutical and materials science research. The ethynyl group enables efficient functionalization, while the methyl substituent enhances stability and influences electronic properties. Its applications include use as a building block in organic synthesis, ligand design, and polymer chemistry. The compound’s well-defined reactivity profile and compatibility with diverse reaction conditions make it a practical choice for constructing complex molecular architectures.
2-ethynyl-6-methylpyridine structure
2-ethynyl-6-methylpyridine structure
Product Name:2-ethynyl-6-methylpyridine
CAS No:30413-58-2
MF:C8H7N
MW:117.147881746292
MDL:MFCD08703491
CID:916050
PubChem ID:13400635
Update Time:2025-05-25

2-ethynyl-6-methylpyridine Chemical and Physical Properties

Names and Identifiers

    • 2-ethynyl-6-methyl-Pyridine
    • 2-ETHYNYL-6-METHYLPYRIDINE
    • 2-Methyl-5-ethinylpyridin
    • Pyridine,2-ethynyl-6-methyl
    • 6-Methyl-2-pyridylacetylene
    • Z1198181708
    • SCHEMBL2714827
    • 30413-58-2
    • RUFOVPQUNXLVFW-UHFFFAOYSA-N
    • P10639
    • A876199
    • Pyridine, 2-ethynyl-6-methyl-
    • DTXSID30539550
    • EN300-101232
    • 2-Ethynyl-6-methylpyridine, AldrichCPR
    • DB-068285
    • MFCD08703491
    • AS-50585
    • 2-ethinyl-6-methylpyridine
    • CS-0054138
    • AKOS006240230
    • DTXCID10490337
    • 2-ethynyl-6-methylpyridine
    • MDL: MFCD08703491
    • Inchi: 1S/C8H7N/c1-3-8-6-4-5-7(2)9-8/h1,4-6H,2H3
    • InChI Key: RUFOVPQUNXLVFW-UHFFFAOYSA-N
    • SMILES: N1C(C#C)=CC=CC=1C

Computed Properties

  • Exact Mass: 117.05800
  • Monoisotopic Mass: 117.057849228g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 131
  • 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: 1.5
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Density: 1.00±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 92-94 oC (25 Torr)
  • Flash Point: 66.7±16.6 oC,
  • Solubility: Soluble (100 g/l) (25 o C),
  • PSA: 12.89000
  • LogP: 1.37130

2-ethynyl-6-methylpyridine Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

2-ethynyl-6-methylpyridine Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-ethynyl-6-methylpyridine Production Method

2-ethynyl-6-methylpyridine Suppliers

Amadis Chemical Company Limited
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(CAS:30413-58-2)2-ethynyl-6-methylpyridine
Order Number:A876199
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:48
Price ($):533.0

Additional information on 2-ethynyl-6-methylpyridine

Comprehensive Guide to 2-Ethynyl-6-methylpyridine (CAS No. 30413-58-2): Properties, Applications, and Industry Insights

2-Ethynyl-6-methylpyridine (CAS No. 30413-58-2) is a specialized organic compound gaining attention in pharmaceutical and material science research. This pyridine derivative, characterized by its ethynyl and methyl functional groups, serves as a versatile building block in synthetic chemistry. Its molecular structure (C8H7N) enables unique reactivity patterns, making it valuable for cross-coupling reactions and heterocyclic synthesis.

Recent studies highlight the compound's role in developing advanced materials, particularly in organic electronics and coordination polymers. Researchers are exploring its potential in metal-organic frameworks (MOFs), where its rigid-rod geometry and π-conjugation properties enhance structural stability. The 2-ethynyl-6-methylpyridine price and supply chain have become trending topics among chemical procurement specialists, reflecting growing industrial demand.

From a synthetic perspective, 30413-58-2 demonstrates remarkable click chemistry compatibility. Its terminal alkyne group readily participates in Huisgen cycloadditions, enabling efficient bioconjugation applications. This property aligns with current research trends in bioorthogonal chemistry and probe development, addressing frequent search queries like "how to modify pyridine derivatives" and "alkyne-functionalized heterocycles".

The compound's spectroscopic properties have been extensively characterized. NMR studies reveal distinct proton environments, with the methyl group appearing as a singlet (δ 2.5 ppm) and ethynyl proton as a sharp singlet (δ 3.1 ppm). These features facilitate reaction monitoring, a key concern for chemists searching for "pyridine derivative characterization methods". Mass spectrometry typically shows a molecular ion peak at m/z 117, with fragmentation patterns supporting its structural identification.

In pharmaceutical contexts, 2-ethynyl-6-methylpyridine serves as a precursor for kinase inhibitor scaffolds. Computational studies suggest its potential in drug discovery, particularly for modifying binding affinity and solubility profiles. These applications respond to frequent searches about "small molecule drug development" and "pyridine-based pharmacophores". However, researchers must consider its lipophilicity (calculated logP ≈ 1.8) during formulation design.

Industrial-scale production of CAS 30413-58-2 typically involves Sonogashira coupling between 6-methyl-2-bromopyridine and terminal alkynes. Process chemists frequently search for "optimized pyridine synthesis" and "scale-up challenges for ethynyl compounds", highlighting the need for improved catalytic systems and purification protocols. Recent advances in continuous flow chemistry show promise for enhancing yield and safety.

Environmental and handling considerations for 2-ethynyl-6-methylpyridine follow standard laboratory protocols. While not classified as hazardous under major regulatory frameworks, proper storage conditions (typically 2-8°C under inert atmosphere) ensure stability. These practical aspects address common queries like "pyridine derivative shelf life" and "handling air-sensitive compounds" in research forums.

The future outlook for 30413-58-2 appears promising, with patent analyses showing increasing incorporation into functional materials and catalytic ligands. As industries seek answers about "emerging specialty chemicals" and "pyridine market trends", this compound exemplifies the innovation driving fine chemical development. Ongoing research into its photophysical properties may unlock applications in OLED technologies and sensor development.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:30413-58-2)2-ethynyl-6-methylpyridine
A876199
Purity:99%
Quantity:5g
Price ($):533.0
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