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

Name: 4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1618-36-6
Cat. No. CS-W008619
Purity≥97%
MDL No.MFCD09264586

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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+
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4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine|CS-W008619

Structure of 1618-36-6

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General Information

CAS No. 1618-36-6
Cat. No. CS-W008619
Purity ≥97%
MDL No. MFCD09264586
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆ClN₃
Molecular Weight 167.60
Synonym(s) 4-chloro-5-methyl-1H-pyrrolo[2,3-d]pyrimidine
SMILES CC1=CNC2=NC=NC(Cl)=C21

Description

4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine serves as a critical heterocyclic scaffold in medicinal chemistry, offering a rigid, electron-deficient core for targeted kinase inhibition. This bench-stable building block integrates readily into purine analogs and bioactive molecules, enabling efficient access to advanced intermediates in drug discovery pipelines.

Application

4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient access to purine-derived scaffolds. Its well-defined reactivity at the C4 position facilitates palladium-catalyzed cross-coupling reactions, while the methyl group provides a handle for further functionalization. The compound exhibits excellent bench stability and compatibility with standard synthetic workflows, making it a practical choice for the construction of kinase inhibitors and other biologically active heterocycles.

Synthesis

Route1
- In-stock
  
  22276-95-5
- 74-88-4
- ~56%
- In-stock
  
  1618-36-6
References
- Seela; Thomas Helvetica Chimica Acta, 1994 , vol. 77, # 4 p. 897 - 903
Route2
- 3680-69-1
- ~%
- In-stock
  
  1618-36-6
References
- Helvetica Chimica Acta, , vol. 77, # 4 p. 897 - 903

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

Quality Control

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Computational Chemistry Data

TPSA 41.57
LogP 1.91972
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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4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

CAS No. 1618-36-6

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