Cas no 1043419-29-9 (METHYL 4-BROMONICOTINATE)

METHYL 4-BROMONICOTINATE (CAS: 24584-10-1) is a brominated nicotinate ester widely used as a versatile intermediate in organic synthesis and pharmaceutical research. Its key advantages include high reactivity as a building block for cross-coupling reactions, such as Suzuki or Stille couplings, due to the presence of the bromo substituent at the 4-position. The methyl ester group further enhances its utility in derivatization reactions. This compound exhibits good stability under standard storage conditions and is particularly valuable in the synthesis of pyridine-based scaffolds for bioactive molecules. Its consistent purity and well-characterized properties make it a reliable choice for precision applications in medicinal chemistry and material science.
METHYL 4-BROMONICOTINATE structure
METHYL 4-BROMONICOTINATE structure
Product Name:METHYL 4-BROMONICOTINATE
CAS No:1043419-29-9
MF:C7H6BrNO2
MW:216.032041072845
MDL:MFCD11042224
CID:97884
PubChem ID:23436966
Update Time:2025-05-24

METHYL 4-BROMONICOTINATE Chemical and Physical Properties

Names and Identifiers

    • METHYL 4-BROMONICOTINATE
    • 3-Pyridinecarboxylicacid, 4-bromo-, methyl ester
    • METHYL 4-BROMOPYRIDINE-3-CARBOXYLATE
    • 4-Bromo-3-pyridinecarboxylic acid methyl ester
    • 4-Bromopyridine-3-carboxylic acid methyl ester
    • 4-Bromo-nicotinic acid methyl ester
    • 4-Bromo-nicotinic acid methyl ester hydrobromide
    • SCHEMBL2419079
    • Methyl4-bromopyridine-3-carboxylate
    • MFCD11042224
    • DTXSID00634102
    • 4-bromonicotinic acid methyl ester
    • CS-0139106
    • I11422
    • AKOS015917120
    • J-522325
    • 1043419-29-9
    • SB30352
    • SZPKROSXWRBYQI-UHFFFAOYSA-N
    • FT-0650212
    • 3-pyridinecarboxylic acid, 4-broMo-, Methyl ester
    • DB-082578
    • MDL: MFCD11042224
    • Inchi: 1S/C7H6BrNO2/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H3
    • InChI Key: SZPKROSXWRBYQI-UHFFFAOYSA-N
    • SMILES: BrC1C=CN=CC=1C(=O)OC

Computed Properties

  • Exact Mass: 214.95800
  • Monoisotopic Mass: 214.95819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 151
  • 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: 1.4
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Density: 1.579
  • Boiling Point: 252 oC
  • Flash Point: 106 oC
  • PSA: 39.19000
  • LogP: 1.63070

METHYL 4-BROMONICOTINATE 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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Additional information on METHYL 4-BROMONICOTINATE

Professional Introduction of METHYL 4-BROMONICOTINATE (CAS No. 1043419-29-9)

METHYL 4-BROMONICOTINATE, with the CAS number 1043419-29-9, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is a derivative of nicotinic acid, a key component in various biological processes, and its methyl ester form adds unique properties that make it valuable for research and potential applications.

The structure of METHYL 4-BROMONICOTINATE consists of a nicotinate backbone with a bromine substituent at the 4-position. This substitution plays a crucial role in determining the compound's chemical reactivity and biological activity. Recent studies have highlighted its potential as a precursor in the synthesis of bioactive molecules, particularly in the development of new drug candidates.

One of the most promising areas of research involving METHYL 4-BROMONICOTINATE is its application in medicinal chemistry. Scientists have explored its role in designing compounds with anti-inflammatory and antioxidant properties. For instance, a study published in 2023 demonstrated that derivatives of this compound exhibit significant inhibitory effects on pro-inflammatory enzymes, suggesting its potential use in treating conditions such as arthritis and neurodegenerative diseases.

In addition to its medicinal applications, METHYL 4-BROMONICOTINATE has also been investigated for its role in agrochemicals. Researchers have found that this compound can serve as an effective precursor for developing pesticides with high specificity and reduced environmental impact. Its ability to target specific pests without harming beneficial insects makes it a valuable asset in sustainable agriculture.

The synthesis of METHYL 4-BROMONICOTINATE involves a multi-step process that includes bromination and esterification reactions. Recent advancements in catalytic methods have improved the efficiency and yield of these reactions, making large-scale production more feasible. These improvements are critical for meeting the growing demand for this compound in both academic research and industrial applications.

From a structural standpoint, the methyl ester group in METHYL 4-BROMONICOTINATE enhances its solubility in organic solvents, making it easier to handle during laboratory procedures. This property is particularly advantageous for researchers working on complex organic transformations or analytical studies requiring precise control over reaction conditions.

Furthermore, the bromine atom at the 4-position introduces electronic effects that influence the compound's reactivity. These effects have been leveraged in various coupling reactions, such as Suzuki-Miyaura couplings, which are widely used in organic synthesis to form carbon-carbon bonds. The ability to participate in such reactions underscores the versatility of this compound as a building block in synthetic chemistry.

In terms of stability, METHYL 4-BROMONICOTINATE demonstrates moderate thermal stability under standard laboratory conditions. However, exposure to high temperatures or prolonged storage can lead to decomposition, releasing potentially harmful byproducts. Therefore, proper handling and storage procedures are essential to ensure both safety and product integrity.

The growing interest in METHYL 4-BROMONICOTINATE is reflected in its increasing presence in scientific literature and industry reports. Researchers are continuously exploring new avenues for its application, driven by its unique chemical properties and compatibility with modern synthetic techniques.

In conclusion, METHYL 4-BROMONICOTINATE (CAS No. 1043419-29-9) stands out as a versatile and valuable compound with diverse applications across multiple disciplines. Its role as a precursor in drug development, agrochemicals, and organic synthesis highlights its importance to contemporary research efforts. As scientific understanding of this compound deepens, it is likely to unlock even more innovative uses that benefit various industries.

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