Cas no 13627-49-1 (2-Methylpyrimidine-4-carboxylic acid)

2-Methylpyrimidine-4-carboxylic acid is a heterocyclic organic compound featuring a pyrimidine ring substituted with a methyl group at the 2-position and a carboxylic acid functional group at the 4-position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of active ingredients and fine chemicals. Its reactivity allows for further functionalization, enabling the construction of more complex molecules. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its purity and consistent quality are critical for applications in research and industrial processes, where precise molecular frameworks are required.
2-Methylpyrimidine-4-carboxylic acid structure
13627-49-1 structure
Product Name:2-Methylpyrimidine-4-carboxylic acid
CAS No:13627-49-1
MF:C6H6N2O2
MW:138.124041080475
MDL:MFCD09834807
CID:49378
PubChem ID:329776913
Update Time:2025-08-05

2-Methylpyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methylpyrimidine-4-carboxylic acid
    • 2-Methyl-4-pyrimidinecarboxylic acid
    • 2-METHYL-PYRIMIDINE-4-CARBOXYLIC ACID
    • 4-PyriMidinecarboxylicacid, 2-Methyl-
    • 2-methyl-pyrimidine-4-carboxylic aicd
    • 2-Methylpyrimidine-4-Carboxylic Acid(WX614004)
    • 4-Pyrimidinecarboxylic acid, 2-methyl- (8CI,9CI)
    • 2-Methyl-4-pyrimidinecarboxylicacid
    • CDBDBWCUGHXFTN-UHFFFAOYSA-N
    • BCP26589
    • SBB065699
    • CM0043
    • RP20422
    • MCU
    • hydro-2-methyl-4-pyrimidinecarboxylic acid
    • BB 0259360
    • Z489806966
    • AB01006763-01
    • SY019660
    • AM20080269
    • 13627-49-1
    • FT-0647803
    • 2-METHYLPYRIMIDINE-4-CARBOXYLICACID
    • SCHEMBL1578942
    • J-510097
    • SB33035
    • F8880-8292
    • 2-Methyl-4-pyrimidinecarboxylic acid, AldrichCPR
    • CS-W005461
    • EN300-45240
    • AC-25246
    • DTXSID10595513
    • AKOS000284298
    • BS-13288
    • MFCD09834807
    • DB-000855
    • MDL: MFCD09834807
    • Inchi: 1S/C6H6N2O2/c1-4-7-3-2-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)
    • InChI Key: CDBDBWCUGHXFTN-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=NC(C)=N1)=O

Computed Properties

  • Exact Mass: 138.04300
  • Monoisotopic Mass: 138.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 138
  • 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: 63.1
  • XLogP3: 0.5

Experimental Properties

  • PSA: 63.08000
  • LogP: 0.48320

2-Methylpyrimidine-4-carboxylic acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319
  • Warning Statement: P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/38
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-Methylpyrimidine-4-carboxylic acid Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the 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:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-Methylpyrimidine-4-carboxylic acid Related Literature

Additional information on 2-Methylpyrimidine-4-carboxylic acid

2-Methylpyrimidine-4-carboxylic Acid: A Comprehensive Overview

2-Methylpyrimidine-4-carboxylic acid, also known by its CAS number 13627-49-1, is a heterocyclic organic compound with significant applications in various fields of chemistry and materials science. This compound belongs to the pyrimidine family, which is a class of six-membered aromatic rings containing two nitrogen atoms. The presence of a methyl group at the 2-position and a carboxylic acid group at the 4-position makes this compound unique in terms of its chemical properties and reactivity.

The structure of 2-Methylpyrimidine-4-carboxylic acid is characterized by its planar geometry, which contributes to its stability and ability to participate in various chemical reactions. The carboxylic acid group at the 4-position imparts acidic properties to the molecule, making it a potential candidate for applications in catalysis and material synthesis. Recent studies have highlighted the role of this compound in the development of novel materials, including metal-organic frameworks (MOFs) and coordination polymers.

In terms of synthesis, 2-Methylpyrimidine-4-carboxylic acid can be prepared through various methods, including condensation reactions and cyclization processes. One of the most efficient methods involves the reaction of aldehydes or ketones with ammonia or ammonium salts, followed by subsequent modifications to introduce the methyl and carboxylic acid groups. These methods have been optimized in recent years to improve yield and purity, making this compound more accessible for research and industrial applications.

The chemical properties of 2-Methylpyrimidine-4-carboxylic acid are highly dependent on its functional groups. The carboxylic acid group can undergo esterification or amidation reactions, enabling the formation of derivatives with diverse functionalities. For instance, ester derivatives have been explored for their potential use as biodegradable polymers in packaging and biomedical applications. Additionally, the methyl group at the 2-position enhances the compound's hydrophobicity, which is advantageous in certain drug delivery systems.

Recent advancements in computational chemistry have provided deeper insights into the electronic structure and reactivity of 2-Methylpyrimidine-4-carboxylic acid. Density functional theory (DFT) calculations have revealed that the compound exhibits significant π-conjugation effects due to its aromatic ring system. These effects influence its electronic properties, making it a promising candidate for applications in organic electronics and optoelectronics.

In terms of biological applications, 2-Methylpyrimidine-4-carboxylic acid has shown potential as a building block for drug design. Its structure resembles certain nucleobases found in DNA and RNA, suggesting that it could serve as a mimic or analog in biochemical studies. Recent research has explored its role as an inhibitor of specific enzymes involved in metabolic pathways, highlighting its potential as a lead compound for drug development.

The environmental impact of 2-Methylpyrimidine-4-carboxylic acid has also been a topic of interest in recent studies. Its biodegradability and toxicity profiles have been assessed under various conditions, providing valuable information for its safe handling and disposal. These studies emphasize the importance of sustainable practices in the synthesis and application of this compound.

In conclusion, 2-Methylpyrimidine-4-carboxylic acid, with its unique chemical structure and versatile functional groups, continues to be a subject of intense research across multiple disciplines. From materials science to drug discovery, this compound offers immense potential for innovation. As new technologies emerge and our understanding deepens, we can expect even more groundbreaking applications for this remarkable molecule.

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