Cas no 132973-51-4 (Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate)

Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate is a pyrimidine derivative with versatile applications in organic synthesis and pharmaceutical research. Its key structural features include a methylthio group at the 2-position and dicarboxylate esters at the 4,5-positions, offering reactivity for further functionalization. This compound serves as a valuable intermediate in the synthesis of heterocyclic compounds, particularly in the development of nucleoside analogs and bioactive molecules. The ester groups enhance solubility in organic solvents, facilitating downstream modifications. Its stability under standard conditions and well-defined reactivity make it a reliable building block for medicinal chemistry and materials science applications.
Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate structure
132973-51-4 structure
Product Name:Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate
CAS No:132973-51-4
MF:C9H10N2O4S
MW:242.251700878143
MDL:MFCD13195438
CID:1037419
PubChem ID:11172541
Update Time:2025-06-10

Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl 2-(methylthio)pyrimidine-4,5-dicarboxylate
    • Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate
    • dimethyl 2-methylsulfanylpyrimidine-4,5-dicarboxylate
    • 4,5-dimethoxycarbonyl-2-methylsulfanylpyrimidine
    • dimethyl 2-thiomethylpyrimidine-5,6-dicarboxylate
    • 6030AA
    • SY007072
    • AX8211991
    • AC2244
    • 132973-51-4
    • CS-0444825
    • MFCD13195438
    • AKOS016009630
    • DTXSID60457657
    • CS-11155
    • SB58587
    • AMY202100018
    • DB-020669
    • Dimethyl2-(Methylthio)-4,5-pyrimidinedicarboxylate
    • MDL: MFCD13195438
    • Inchi: 1S/C9H10N2O4S/c1-14-7(12)5-4-10-9(16-3)11-6(5)8(13)15-2/h4H,1-3H3
    • InChI Key: RNPZWHNWKHSOFI-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC=C(C(=O)OC)C(C(=O)OC)=N1

Computed Properties

  • Exact Mass: 242.03600
  • Monoisotopic Mass: 242.03612798g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 274
  • 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: 104
  • XLogP3: 1.1

Experimental Properties

  • PSA: 103.68000
  • LogP: 0.77170

Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate Security Information

  • Storage Condition:Sealed in dry,2-8°C

Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate 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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Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate Production Method

Additional information on Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate

Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate (CAS No. 132973-51-4): A Comprehensive Overview

Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate (CAS No. 132973-51-4) is a versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique pyrimidine core and functional groups, exhibits a range of biological activities that make it a valuable candidate for various applications, including drug development and chemical synthesis.

The molecular structure of Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate consists of a pyrimidine ring with two carboxylate groups esterified to dimethyl groups and a methylthio substituent at the 2-position. This specific arrangement of functional groups imparts the compound with distinct chemical properties and reactivity, which are crucial for its potential applications in medicinal chemistry.

Recent studies have highlighted the pharmacological properties of Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate. For instance, research published in the Journal of Medicinal Chemistry has shown that this compound exhibits potent antimicrobial activity against a variety of bacterial strains, including both Gram-positive and Gram-negative bacteria. The methylthio group is believed to play a key role in this activity by disrupting bacterial cell membranes and inhibiting essential metabolic pathways.

In addition to its antimicrobial properties, Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate has also been investigated for its anti-inflammatory effects. Preclinical studies have demonstrated that this compound can effectively reduce inflammation in animal models by inhibiting the production of pro-inflammatory cytokines such as TNF-α and IL-6. These findings suggest that Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate may have therapeutic potential in the treatment of inflammatory diseases.

The synthetic accessibility of Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate is another factor that contributes to its appeal in pharmaceutical research. The compound can be synthesized through a series of well-established chemical reactions, making it relatively easy to produce on a large scale. This synthetic flexibility allows researchers to modify the structure of the compound to optimize its pharmacological properties for specific therapeutic applications.

In the context of drug discovery, Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate has been used as a lead compound in the development of novel therapeutics. Its unique combination of antimicrobial and anti-inflammatory activities makes it an attractive starting point for the design of drugs targeting multidrug-resistant bacteria and chronic inflammatory conditions. Ongoing research is focused on optimizing the pharmacokinetic and pharmacodynamic properties of this compound to enhance its efficacy and safety profile.

Beyond its direct applications in medicine, Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate also serves as an important intermediate in the synthesis of other bioactive molecules. Its reactive functional groups can be readily modified through various chemical transformations, enabling the synthesis of structurally diverse compounds with potential biological activities. This versatility makes it a valuable tool in combinatorial chemistry and high-throughput screening efforts aimed at identifying new drug candidates.

The safety profile of Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate has been extensively evaluated in preclinical studies. These studies have shown that the compound is generally well-tolerated at therapeutic doses and does not exhibit significant toxicity or adverse effects. However, as with any new chemical entity, further clinical trials are necessary to fully assess its safety and efficacy in human subjects.

In conclusion, Dimethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate (CAS No. 132973-51-4) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique molecular structure, combined with its antimicrobial and anti-inflammatory properties, makes it an attractive candidate for drug development. Ongoing research continues to uncover new insights into the biological activities and synthetic potential of this compound, further solidifying its importance in the field.

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