Cas no 220114-83-0 (5-Methoxypyrimidine-2-carbaldehyde)

5-Methoxypyrimidine-2-carbaldehyde is a versatile heterocyclic aldehyde with a pyrimidine core functionalized by a methoxy group at the 5-position and a formyl group at the 2-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive aldehyde group enables facile derivatization through condensation, nucleophilic addition, or cyclization reactions, while the methoxy substituent enhances electronic properties and solubility. The pyrimidine scaffold contributes to its utility in medicinal chemistry, often employed in the design of bioactive molecules. Suitable for controlled reactions, it offers precise functionalization opportunities in multi-step synthetic routes.
5-Methoxypyrimidine-2-carbaldehyde structure
220114-83-0 structure
Product Name:5-Methoxypyrimidine-2-carbaldehyde
CAS No:220114-83-0
MF:C6H6N2O2
MW:138.124041080475
MDL:MFCD10697491
CID:243808
PubChem ID:21021751
Update Time:2025-08-04

5-Methoxypyrimidine-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Methoxypyrimidine-2-carbaldehyde
    • 2-Formyl-5-methoxy-pyrimidine
    • 2-Pyrimidinecarboxaldehyde,5-methoxy-
    • 5‐METHOXY‐2‐PYRIMIDINECARBALDEHYDE
    • 5-methoxy-2-Pyrimidinecarboxaldehyde
    • 2-Pyrimidinecarbaldehyde,5-methoxy
    • 2-PYRIMIDINECARBOXALDEHYDE,5-METHOXY
    • 5-METHOXY-2-PYRIMIDINECARBALDEHYDE
    • DTXSID60610225
    • AKOS006302724
    • Z1198277529
    • AB59742
    • MFCD10697491
    • EN300-2977979
    • FT-0759195
    • SY270763
    • P10965
    • SCHEMBL14409041
    • AMY30217
    • VIA11483
    • 220114-83-0
    • 2-Pyrimidinecarboxaldehyde, 5-methoxy- (9CI)
    • DS-5088
    • MDL： MFCD10697491
    • Inchi： 1S/C6H6N2O2/c1-10-5-2-7-6(4-9)8-3-5/h2-4H,1H3
    • InChI Key： YWCAULDHVOEECI-UHFFFAOYSA-N
    • SMILES： O(C)C1=CN=C(C=O)N=C1

Computed Properties

  • Exact Mass: 138.04300
  • Monoisotopic Mass: 138.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 110
  • 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
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.2±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 308.3±34.0 °C at 760 mmHg
  • Flash Point: 140.3±25.7 °C
  • Refractive Index: 1.556
  • PSA: 52.08000
  • LogP: 0.29770
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

5-Methoxypyrimidine-2-carbaldehyde Security Information

5-Methoxypyrimidine-2-carbaldehyde 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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5-Methoxypyrimidine-2-carbaldehyde Related Literature

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Additional information on 5-Methoxypyrimidine-2-carbaldehyde

5-Methoxypyrimidine-2-carbaldehyde: A Comprehensive Overview

5-Methoxypyrimidine-2-carbaldehyde (CAS No. 220114-83-0) is a versatile organic compound with significant applications in various fields of chemistry, including medicinal chemistry, materials science, and catalysis. This compound, characterized by its unique structure featuring a methoxy group attached to the pyrimidine ring and an aldehyde moiety at the 2-position, has garnered attention due to its potential in synthesizing bioactive molecules and advanced materials.

The synthesis of 5-methoxypyrimidine-2-carbaldehyde involves a series of well-established organic reactions, including nucleophilic substitution, oxidation, and condensation processes. Recent advancements in catalytic methods have enabled the efficient production of this compound with high purity and yield. Its structure makes it an excellent precursor for the construction of heterocyclic frameworks, which are integral to many pharmaceutical agents and agrochemicals.

One of the most notable applications of 5-methoxypyrimidine-2-carbaldehyde is in the development of antiviral and anticancer agents. Researchers have exploited its reactivity to design molecules that target specific viral enzymes and oncogenic pathways. For instance, studies have shown that derivatives of this compound exhibit potent inhibitory activity against human immunodeficiency virus (HIV) protease, making them promising candidates for antiretroviral therapy.

In the realm of materials science, 5-methoxypyrimidine-2-carbaldehyde has been utilized as a building block for constructing coordination polymers and metal-organic frameworks (MOFs). These materials exhibit exceptional porosity and stability, rendering them suitable for gas storage, catalysis, and sensing applications. Recent breakthroughs in MOF synthesis have further highlighted the importance of this compound in creating hierarchical porous structures with tailored functionalities.

The aldehyde group in 5-methoxypyrimidine-2-carbaldehyde also lends itself to various cross-coupling reactions, such as the Heck reaction and Suzuki coupling. These reactions enable the formation of biaryl bonds and other complex architectures, which are critical for drug discovery and material engineering. The methoxy group, on the other hand, enhances the compound's solubility and bioavailability, making it an attractive starting material for medicinal chemists.

From an environmental perspective, 5-methoxypyrimidine-2-carbaldehyde has been explored as a potential precursor for biodegradable polymers. Its ability to undergo polymerization under mild conditions offers a sustainable alternative to traditional petrochemical-based polymers. This aligns with global efforts to develop eco-friendly materials that minimize environmental impact.

In conclusion, 5-methoxypyrimidine-2-carbaldehyde (CAS No. 220114-83-0) stands as a pivotal molecule in contemporary chemical research. Its unique structure, coupled with its reactivity and versatility, positions it as a key player in advancing drug development, materials science, and sustainable chemistry. As research continues to uncover new applications for this compound, its significance in both academic and industrial settings is expected to grow further.

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