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Atomfair 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine C7H6ClN3S CAS 57564-94-0

4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine (CAS No. 57564-94-0) is a high-purity heterocyclic compound with the molecular formula C7H6ClN3S . This specialized chemical serves as a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. The compound features a pyrrolo[2,3-d]pyrimidine core substituted with a chloro group at the 4-position and a methylthio moiety at the 2-position, offering dual reactivity for further functionalization. With a molecular weight of 199.66 g/mol, it is supplied as an off-white to light yellow crystalline powder under strict quality control (typically ≥95% purity by HPLC). Precautions include storage at 2-8°C in a tightly sealed container under inert atmosphere…

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Description

4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine (CAS No. 57564-94-0) is a high-purity heterocyclic compound with the molecular formula C7H6ClN3S. This specialized chemical serves as a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. The compound features a pyrrolo[2,3-d]pyrimidine core substituted with a chloro group at the 4-position and a methylthio moiety at the 2-position, offering dual reactivity for further functionalization. With a molecular weight of 199.66 g/mol, it is supplied as an off-white to light yellow crystalline powder under strict quality control (typically ≥95% purity by HPLC). Precautions include storage at 2-8°C in a tightly sealed container under inert atmosphere to prevent degradation. This product is intended for research purposes only and is not for human or veterinary use.

Properties

  • CAS Number: 57564-94-0
  • Complexity: 169
  • IUPAC Name: 4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
  • InChI: InChI=1S/C7H6ClN3S/c1-12-7-10-5(8)4-2-3-9-6(4)11-7/h2-3H,1H3,(H,9,10,11)
  • InChI Key: WEGGBXZHIWVHOI-UHFFFAOYSA-N
  • Exact Mass: 198.9970961
  • Molecular Formula: C7H6ClN3S
  • Molecular Weight: 199.66
  • SMILES: CSC1=NC2=C(C=CN2)C(=N1)Cl
  • Topological: 66.9
  • Monoisotopic Mass: 198.9970961
  • Synonyms: 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine, 57564-94-0, 4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine, 5-CHLORO-3-METHYLSULFANYL-2,4,9-TRIAZABICYCLO[4.3.0]NONA-2,4,7,10-TETRAENE, MFCD09025769, 4-chloro-2-methylthiopyrrolo[2,3-d]pyrimidine, NSC70903, 1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2-(methylthio)-, SCHEMBL2564796, SCHEMBL3877175, DTXSID90415907, WEGGBXZHIWVHOI-UHFFFAOYSA-N, NSC-70903, SC1201, AKOS006291556, AKOS028109008, CS-W019391, PB29575, BP-20050, DS-10844, SY103878, DB-028077, 4-chloro-2-methylthiopyrrolo[2,3-d]-pyrimidine, 4-chloro-2-methylthiopyrrolo[2,3-d] -pyrimidine, 4-chloro-2-methylmercapto-7H-pyrrolo[2,3-d]pyrimidine, 7H-pyrrolo[2,3-d]pyrimidine, 4-chloro-2-(methylthio)-, 4-Chloro-2-(methylthio)-7H-pyrrolo[2 pound not3-d]pyrimidine, InChI=1/C7H6ClN3S/c1-12-7-10-5(8)4-2-3-9-6(4)11-7/h2-3H,1H3,(H,9,10,11

Application

This compound is primarily employed as a key intermediate in the synthesis of nucleoside analogs and kinase inhibitors. Researchers utilize its reactive chloro and methylthio groups for Suzuki couplings, nucleophilic substitutions, and cross-coupling reactions. It has shown potential in developing antiviral and anticancer agents targeting purine-binding enzymes. The pyrrolopyrimidine scaffold is also explored in agrochemical applications as a precursor for herbicidal compounds.

Safety and Hazards

GHS Hazard Statements

  • H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

Precautionary Statements

  • P264, P270, P301+P316, P321, P330, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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