Cas no 1207518-63-5 (Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate)

Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is a heterocyclic compound featuring a pyrrolo[2,3-d]pyrimidine core with a chloro substituent at the 4-position and a methyl ester group at the 5-position. This structure serves as a versatile intermediate in medicinal chemistry, particularly in the synthesis of kinase inhibitors and other biologically active molecules. The chloro group enhances reactivity for further functionalization, while the ester moiety allows for straightforward derivatization. Its rigid fused-ring system contributes to binding affinity in target interactions. The compound is typically employed in research settings for the development of small-molecule therapeutics, owing to its well-defined reactivity profile and compatibility with diverse synthetic transformations.
Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate structure
1207518-63-5 structure
Product Name:Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CAS No:1207518-63-5
MF:C8H6ClN3O2
MW:211.605140209198
MDL:MFCD17016053
CID:1090716
PubChem ID:59361013
Update Time:2025-10-22

Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
    • Methyl 4-chloro-7H-pyrrolo-[2,3-d]pyrimidine-5-carboxylate
    • Methyl4-chloro-7H-pyrrolo[2,3-d]pyriMidine-5-carboxylate
    • 1207518-63-5
    • TQR0330
    • SCHEMBL3224390
    • BFUCSJAQMGZHOP-UHFFFAOYSA-N
    • DB-334628
    • CS-0053871
    • AKOS022176326
    • DTXSID90731634
    • AS-40812
    • PB34888
    • MDL: MFCD17016053
    • Inchi: 1S/C8H6ClN3O2/c1-14-8(13)4-2-10-7-5(4)6(9)11-3-12-7/h2-3H,1H3,(H,10,11,12)
    • InChI Key: BFUCSJAQMGZHOP-UHFFFAOYSA-N
    • SMILES: ClC1=C2C(=NC=N1)NC=C2C(=O)OC

Computed Properties

  • Exact Mass: 211.0148541g/mol
  • Monoisotopic Mass: 211.0148541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 239
  • 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: 1.5
  • Topological Polar Surface Area: 67.9?2

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Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate Related Literature

Additional information on Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

Comprehensive Overview of Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CAS No. 1207518-63-5)

Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CAS 1207518-63-5) is a heterocyclic organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its versatile structural framework. This compound belongs to the pyrrolopyrimidine family, a class of nitrogen-containing heterocycles known for their broad biological activities. Researchers and industry professionals frequently search for "pyrrolopyrimidine derivatives" or "CAS 1207518-63-5 applications" to explore its potential in drug discovery and material science.

The molecular structure of Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate features a fused pyrrole and pyrimidine ring system, which is often associated with kinase inhibition and other therapeutic mechanisms. Its 4-chloro and 5-carboxylate functional groups make it a valuable intermediate for synthesizing more complex molecules. Recent trends in organic chemistry highlight the demand for "building blocks for medicinal chemistry" and "heterocyclic compound synthesis," positioning this compound as a key player in these areas.

In the context of current research hotspots, Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is often discussed alongside "small molecule inhibitors" and "targeted therapy." Its potential applications in oncology and inflammation-related diseases align with the growing interest in precision medicine. Searches for "CAS 1207518-63-5 supplier" or "pyrrolopyrimidine scaffold" reflect its commercial and academic relevance.

From a synthetic chemistry perspective, this compound serves as a precursor for modifications at the 4-position chloro group and the 5-carboxylate moiety, enabling diverse derivatization. Laboratories focusing on "high-throughput screening" or "fragment-based drug design" frequently utilize such intermediates. The compound's stability and reactivity profile make it suitable for both solution-phase and solid-phase synthesis methods.

Environmental and regulatory considerations are also critical when working with Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate. While it is not classified as hazardous under standard regulations, proper handling protocols are essential. Queries like "CAS 1207518-63-5 safety data" or "pyrrolopyrimidine storage conditions" underscore the importance of responsible usage in research settings.

In summary, Methyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate (CAS 1207518-63-5) represents a multifaceted tool for modern chemical research. Its alignment with trending topics such as "drug discovery intermediates" and "heterocyclic chemistry" ensures its continued prominence in scientific literature and industrial applications.

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