2,4-Dichloro-7H-pyrrolo[2,3-d]pyriMidine

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2,4-Dichloro-7H-pyrrolo[2,3-d]pyriMidine structure
Structural Feature
Pyrrolopyrimidine scaffold
Reactive Feature
Dichloro heteroarene
Synthesis Role
Heteroaryl functionalization precursor
Application Context
Pharmaceutical intermediate
CAS Number90213-66-4
Molecular FormulaC6H3Cl2N3
Molecular Weight188.01 g/mol
AppearanceWhite to off-white solid
Melting Point247-250 °C
SMILESClc1nc(Cl)c2cc[nH]c2n1
InChIKeyGHXBPCSSQOKKGB-UHFFFAOYSA-N
Description2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine, with 2,4-dichloro substitution. Both chlorides undergo regioselective nucleophilic substitution for 2,4-disubstituted pyrrolopyrimidine drugs.
ApplicationsPharmaceutical intermediate; pyrrolopyrimidine; dichloro substrate
Hazard ClassSkin Irrit. 2; Eye Irrit. 2; STOT SE 3 (Resp)
Hazard StatementsH315; H319; H335
Precautionary StatementsP261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501

Calculated / Predicted Properties

Estimated Boiling Point312.0 °C (predicted)
Estimated Density1.79 g/cm³ (predicted)