7-Deazapurine impurity 1

Name: 7-Deazapurine impurity 1
Brand: ChemScene
Availability: InStock
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CAS No. 876343-10-1
Cat. No. CS-0020188
Purity≥96%
MDL No.MFCD11518919

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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+
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Structure of 876343-10-1

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General Information

CAS No. 876343-10-1
Cat. No. CS-0020188
Purity ≥96%
MDL No. MFCD11518919
Storage -20°C, sealed storage, away from moisture and light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃ClIN₃
Molecular Weight 279.47
Synonym(s) None
SMILES IC1=CC2=C(Cl)N=CN=C2N1

Description

4-Chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine is a halogenated purine analog featuring complementary reactivity at C4 and C6 positions. This electron-deficient heterocycle enables palladium-catalyzed cross-coupling reactions, facilitating efficient access to functionalized pyrrolopyrimidines in medicinal chemistry and materials science applications.

Application

4-Chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine serves as a versatile building block for the synthesis of purine-based scaffolds in medicinal chemistry. Its complementary halogenation pattern enables sequential cross-coupling reactions—particularly Suzuki-Miyaura and Buchwald-Hartwig—under mild conditions, facilitating efficient access to functionalized heterocycles. The compound exhibits good bench stability and is amenable to purification via flash chromatography or recrystallization, making it well-suited for scalable applications in API development.

Synthesis

Route1
- In-stock
  
  876343-09-8
- ~%
- In-stock
  
  876343-10-1
References
- WO2006/17443 A2, ; Page/Page column 56 ; WO 2006/017443 A2

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 2.2159
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Analytical Science Drug Impurity Reference Substance Other Drugs Other impurity

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

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7-Deazapurine impurity 1

CAS No. 876343-10-1

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