Description

4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine (CAS No. 71149-52-5) is a high-purity heterocyclic organic compound with the molecular formula C₇H₆ClN₃. This chlorinated pyrrolopyrimidine derivative is a valuable building block in pharmaceutical and agrochemical research, particularly in the synthesis of nucleoside analogs and kinase inhibitors. Its rigid fused-ring structure and reactive chloro group make it an ideal intermediate for medicinal chemistry applications. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a white to off-white crystalline powder. Store under inert conditions at 2-8°C for optimal stability. Available in research quantities from 100mg to 10g with custom bulk options.

Properties

• CAS Number: 71149-52-5
• Complexity: 153
• IUPAC Name: 4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
• InChI: InChI=1S/C7H6ClN3/c1-4-10-6(8)5-2-3-9-7(5)11-4/h2-3H,1H3,(H,9,10,11)
• InChI Key: HCFJHJBEGJJOMO-UHFFFAOYSA-N
• Exact Mass: 167.0250249
• Molecular Formula: C7H6ClN3
• Molecular Weight: 167.59
• SMILES: CC1=NC2=C(C=CN2)C(=N1)Cl
• Topological: 41.6
• Monoisotopic Mass: 167.0250249
• Synonyms: 4-CHLORO-2-METHYL-7H-PYRROLO[2,3-D]PYRIMIDINE, 71149-52-5, DTXSID70448334, 4-CHLORO-2-METHYL-7H-PYRROLO(2,3-D)PYRIMIDINE, DTXCID70399155, 875-434-4, 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine, MFCD09746275, 1H-PYRROLO[2,3-D]PYRIMIDINE, 4-CHLORO-2-METHYL-, SCHEMBL3011647, SCHEMBL3124523, HCFJHJBEGJJOMO-UHFFFAOYSA-N, AKOS006330362, AKOS015951437, AB51256, CS-W008222, AC-22318, DS-10988, SY046593, DB-024783, EN300-94330, Z1696822330, 4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine, AldrichCPR

Application

This compound serves as a key precursor in the synthesis of adenosine receptor antagonists and protein kinase inhibitors. Researchers utilize it for developing potential therapeutics in oncology and inflammatory diseases. The reactive 4-chloro position allows efficient functionalization through cross-coupling reactions. It’s particularly valuable for structure-activity relationship studies in drug discovery programs.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): 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

• 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.