2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

Name: 2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
Brand: ChemScene
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CAS No. 1012785-51-1
Cat. No. CS-W005702
Purity≥98%
MDL No.MFCD13189364

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine|CS-W005702

Structure of 1012785-51-1

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General Information

CAS No. 1012785-51-1
Cat. No. CS-W005702
Purity ≥98%
MDL No. MFCD13189364
Storage -20°C, sealed storage, away from moisture and light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂Cl₂IN₃
Molecular Weight 313.91
Synonym(s) None
SMILES ClC1=NC2=C(C(I)=CN2)C(Cl)=N1

Description

2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine features a highly reactive iodine at the 5-position, enabling efficient cross-coupling transformations. The electron-deficient pyrrolopyrimidine core integrates readily into pharmaceutical scaffolds, while the dichloro substitution enhances metabolic stability and modulates electronic properties for targeted bioactivity.

Application

2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine serves as a versatile building block for constructing biologically active heterocycles, enabling palladium-catalyzed cross-coupling reactions with high efficiency. The dichloro and iodo substituents provide orthogonal reactivity for sequential functionalization, while the pyrrolo[2,3-d]pyrimidine core offers structural rigidity and favorable electronic properties. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for medicinal chemistry campaigns and API intermediate synthesis.

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 2.8693
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

CAS No. 1012785-51-1

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