Cas no 29681-46-7 (methyl 5-methoxypyridine-3-carboxylate)

Methyl 5-methoxypyridine-3-carboxylate is a versatile heterocyclic ester with applications in pharmaceutical and agrochemical synthesis. Its pyridine core, functionalized with a methoxy group at the 5-position and a methyl ester at the 3-position, offers reactivity for further derivatization, making it a valuable intermediate in medicinal chemistry. The compound exhibits stability under standard conditions and demonstrates compatibility with a range of coupling and substitution reactions. Its structural features enable precise modifications for drug discovery, particularly in the development of bioactive molecules. The product is typically supplied with high purity, ensuring reliable performance in research and industrial processes.
methyl 5-methoxypyridine-3-carboxylate structure
29681-46-7 structure
Product Name:methyl 5-methoxypyridine-3-carboxylate
CAS No:29681-46-7
MF:C8H9NO3
MW:167.161962270737
MDL:MFCD09265109
CID:239284
PubChem ID:16218325
Update Time:2025-08-02

methyl 5-methoxypyridine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-methoxynicotinate
    • 3-Pyridinecarboxylicacid, 5-methoxy-, methyl ester
    • Methyl
    • Methyl 5-methoxypyridine-3-carboxylate
    • 3-Methoxycarbonyl-5-methoxy-pyridin
    • 5-methoxy-nicotinic acid methyl ester
    • 5-Methoxy-nicotinsaeure-methylester
    • Methyl 5-methoxy-3-pyridinecarboxylate
    • methyl 5-methoxy-nicotinate
    • methyl 5-methoxypyridine 3-carboxylate
    • CS-0046214
    • FT-0652561
    • 29681-46-7
    • AS-32699
    • JIRJAOSTLIQOCY-UHFFFAOYSA-N
    • Methyl 5-methoxypyridine-3-carboxylate, 90%
    • DTXSID80584878
    • PB10663
    • SY240024
    • AMY3707
    • Z1255443133
    • METHYL 5-METHOXY-3-PYRIDINECARBOXYLATE, 90%
    • Methyl5-Methoxy-3-Pyridinecarboxylate
    • EN300-1073126
    • MFCD09265109
    • 3-Pyridinecarboxylic acid, 5-methoxy-, methyl ester
    • SCHEMBL1439962
    • J-017600
    • AKOS015851681
    • methyl 5-methoxypyridine-3-carboxylate
    • MDL: MFCD09265109
    • Inchi: 1S/C8H9NO3/c1-11-7-3-6(4-9-5-7)8(10)12-2/h3-5H,1-2H3
    • InChI Key: JIRJAOSTLIQOCY-UHFFFAOYSA-N
    • SMILES: O(C)C1=CN=CC(C(=O)OC)=C1

Computed Properties

  • Exact Mass: 167.05800
  • Monoisotopic Mass: 167.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 160
  • 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: 0.7
  • Topological Polar Surface Area: 48.4?2

Experimental Properties

  • Density: 1.156
  • Melting Point: 54-59?°C
  • Boiling Point: 250.891°C at 760 mmHg
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: 1.504
  • PSA: 48.42000
  • LogP: 0.87680

methyl 5-methoxypyridine-3-carboxylate Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H315-H318-H335
  • Warning Statement: P261-P280-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 37/38-41
  • Safety Instruction: 26-39
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Risk Phrases:R37/38; R41

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methyl 5-methoxypyridine-3-carboxylate Production Method

Additional information on methyl 5-methoxypyridine-3-carboxylate

Methyl 5-Methoxypyridine-3-Carboxylate (CAS No. 29681-46-7): An Overview of Its Properties and Applications

Methyl 5-methoxypyridine-3-carboxylate (CAS No. 29681-46-7) is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical structure and potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound, also known as methyl 5-methoxypyridine-3-carboxylate, is characterized by its pyridine ring with a methoxy group at the 5-position and a carboxylate ester at the 3-position. The combination of these functional groups imparts distinct chemical properties that make it an intriguing molecule for both academic research and industrial applications.

The chemical structure of methyl 5-methoxypyridine-3-carboxylate can be represented as C9H11NO3. The pyridine ring, a six-membered heterocyclic aromatic compound, provides the molecule with significant stability and reactivity. The methoxy group at the 5-position enhances the molecule's solubility and electronic properties, while the carboxylate ester at the 3-position introduces additional reactivity and functional versatility. These features collectively contribute to the compound's potential for use in a wide range of applications.

In the pharmaceutical industry, methyl 5-methoxypyridine-3-carboxylate has been studied for its potential as a lead compound in drug discovery. Recent research has shown that derivatives of this compound exhibit promising biological activities, including anti-inflammatory, antiviral, and anticancer properties. For instance, a study published in the Journal of Medicinal Chemistry reported that certain derivatives of methyl 5-methoxypyridine-3-carboxylate demonstrated potent anti-inflammatory effects by inhibiting key enzymes involved in the inflammatory response pathway. This finding opens up new avenues for the development of novel anti-inflammatory drugs.

Beyond pharmaceuticals, methyl 5-methoxypyridine-3-carboxylate has also found applications in agrochemicals. Its unique chemical structure makes it suitable for use as an intermediate in the synthesis of various agrochemical products, such as herbicides and fungicides. Research conducted by agricultural scientists has shown that compounds derived from methyl 5-methoxypyridine-3-carboxylate can effectively control plant pathogens and weeds without causing significant environmental harm. This makes it a valuable component in the development of sustainable agricultural practices.

In materials science, methyl 5-methoxypyridine-3-carboxylate has been explored for its potential use in the synthesis of advanced materials. The pyridine ring and methoxy group provide excellent electronic properties, making it suitable for applications in electronic devices and sensors. A study published in the Journal of Materials Chemistry C demonstrated that derivatives of methyl 5-methoxypyridine-3-carboxylate could be used to create highly sensitive gas sensors with improved detection capabilities. This research highlights the compound's potential in developing next-generation electronic devices.

The synthesis of methyl 5-methoxypyridine-3-carboxylate can be achieved through various methods, including traditional organic synthesis routes and more modern techniques such as microwave-assisted synthesis. One common method involves the esterification of 5-methoxypyridine-3-carboxylic acid with methanol in the presence of an acid catalyst. This process yields high-purity methyl 5-methoxypyridine-3-carboxylate, which can then be further modified or used directly in various applications.

The safety profile of methyl 5-methoxypyridine-3-carboxylate is an important consideration for its use in different industries. While it is generally considered safe when handled properly, appropriate safety measures should be taken to ensure safe handling and storage. This includes wearing personal protective equipment (PPE) such as gloves and goggles, working in well-ventilated areas, and following standard laboratory safety protocols.

In conclusion, methyl 5-methoxypyridine-3-carboxylate (CAS No. 29681-46-7) is a multifaceted compound with a wide range of potential applications across various fields. Its unique chemical structure and functional groups make it an attractive candidate for drug discovery, agrochemical development, and advanced materials science. Ongoing research continues to uncover new possibilities for this versatile molecule, solidifying its importance in both academic and industrial settings.

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