Description

5-Bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS: 1111237-76-3) is a high-purity heterocyclic compound with the molecular formula C₇H₅BrClN₃, designed for advanced research and pharmaceutical applications. This brominated and chlorinated pyrrolopyrimidine derivative is a versatile building block in medicinal chemistry, particularly for the synthesis of kinase inhibitors, nucleoside analogs, and other biologically active molecules. With a molecular weight of 246.49 g/mol, it exhibits excellent reactivity for cross-coupling reactions, nucleophilic substitutions, and other functional group transformations. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a white to off-white crystalline powder, packaged under inert conditions to guarantee stability. Ideal for high-throughput screening (HTS) and structure-activity relationship (SAR) studies, this compound is a critical tool for drug discovery targeting cancer, inflammation, and infectious diseases.

Properties

• CAS Number: 1111237-76-3
• Complexity: 180
• IUPAC Name: 5-bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
• InChI: InChI=1S/C7H5BrClN3/c1-3-11-6(9)5-4(8)2-10-7(5)12-3/h2H,1H3,(H,10,11,12)
• InChI Key: XGBXHIJPFPEGBV-UHFFFAOYSA-N
• Exact Mass: 244.93554
• Molecular Formula: C7H5BrClN3
• Molecular Weight: 246.49
• SMILES: CC1=NC2=C(C(=CN2)Br)C(=N1)Cl
• Topological: 41.6
• Monoisotopic Mass: 244.93554
• Synonyms: 5-Bromo-4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine, 1111237-76-3, MFCD16249868, SCHEMBL13215442, DTXSID60732032, AKOS016002455, SB16457, DS-15792, SY099583, DB-368523, CS-0050591, EN300-360079, O11375

This compound serves as a key intermediate in the synthesis of kinase inhibitors, particularly for JAK and CDK families, due to its privileged pyrrolopyrimidine scaffold. Researchers utilize it to develop novel anticancer and anti-inflammatory agents via Suzuki-Miyaura or Buchwald-Hartwig couplings. It is also employed in fluorescent probe development for cellular imaging studies. The bromo and chloro substituents enable sequential functionalization for library diversification in combinatorial chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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