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

Name: Methyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
Brand: ChemScene
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CAS No. 1352396-67-8
Cat. No. CS-0049169
Purity≥96%
MDL No.MFCD20923472

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Methyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate|CS-0049169

Structure of 1352396-67-8

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General Information

CAS No. 1352396-67-8
Cat. No. CS-0049169
Purity ≥96%
MDL No. MFCD20923472
Storage 4°C, sealed storage, away from moisture and light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClN₃O₂
Molecular Weight 211.61
Synonym(s) 2-chloro-7H-Pyrrolo[2,3-d]pyriMidine-5-carboxylic acid Methyl ester
SMILES COC(=O)C1=CNC2=NC(Cl)=NC=C12

Description

Methyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate is a bench-stable heterocyclic building block featuring a chlorinated pyrrolopyrimidine core. This compound integrates readily into medicinal chemistry campaigns, where its electron-deficient ring system enables selective coupling reactions. The methyl ester group provides a handle for downstream functionalization, streamlining access to diverse analogs in drug discovery pipelines.

Application

Methyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate serves as a versatile building block for the synthesis of biologically active heterocycles, enabling efficient construction of purine and pyrrolopyrimidine scaffolds. The chloro group at the 2-position facilitates nucleophilic substitution reactions, while the ester functionality supports further derivatization. Its bench-stable nature and compatibility with standard coupling conditions make it well-suited for medicinal chemistry and process development workflows.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 67.87
LogP 1.3979
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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

CAS No. 1352396-67-8

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