5-Chloro-7H-pyrrolo[2,3-d]pyrimidine

Name: 5-Chloro-7H-pyrrolo[2,3-d]pyrimidine
Brand: ChemScene
Availability: InStock
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CAS No. 1041864-02-1
Cat. No. CS-0043963
Molecule weight153.57
Purity≥98%
MDL No.MFCD12031334

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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5-Chloro-7H-pyrrolo[2,3-d]pyrimidine|CS-0043963

Structure of 1041864-02-1

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General Information

CAS No. 1041864-02-1
Cat. No. CS-0043963
Purity ≥98%
MDL No. MFCD12031334
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄ClN₃
Molecular Weight 153.57
Synonym(s) 5-Chloro-1H-pyrrolo[2,3-d]pyrimidine
SMILES ClC1=CNC2=NC=NC=C21

Description

5-Chloro-7H-pyrrolo[2,3-d]pyrimidine is a bench-stable heterocyclic scaffold featuring a chlorine substituent at the 5-position, enabling direct functionalization in transition-metal-catalyzed cross-coupling reactions. This electron-deficient pyrrolopyrimidine core integrates readily into kinase inhibitors and nucleoside analogs, offering enhanced metabolic stability and targeted bioactivity in medicinal chemistry applications.

Application

5-Chloro-7H-pyrrolo[2,3-d]pyrimidine serves as a versatile building block for purine-based scaffolds, enabling efficient functionalization at C7 and C5 positions. Its chlorine atom facilitates nucleophilic substitution and transition-metal-catalyzed coupling reactions, supporting the construction of biologically relevant heterocycles. The compound exhibits excellent bench stability and ease of purification, making it well-suited for medicinal chemistry campaigns and scale-up processes.

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 41.57
LogP 1.6113
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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5-Chloro-7H-pyrrolo[2,3-d]pyrimidine

CAS No. 1041864-02-1

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