7-Bromo-2-chloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine

Name: 7-Bromo-2-chloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine
Brand: ChemScene
Availability: InStock
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CAS No. 1936463-54-5
Cat. No. CS-0513834
Purity≥98%
MDL No.None

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7-Bromo-2-chloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine|CS-0513834

Structure of 1936463-54-5

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General Information

CAS No. 1936463-54-5
Cat. No. CS-0513834
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrClN₃
Molecular Weight 246.49
Synonym(s) None
SMILES CN1C=C(Br)C2=NC(Cl)=NC=C21

Description

7-Bromo-2-chloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine is a halogenated heterocyclic scaffold featuring strategic substitution at key positions for synthetic versatility. The bromo and chloro groups enable efficient cross-coupling reactions, while the methyl substituent enhances solubility and electronic tuning. This compound serves as a robust building block in medicinal chemistry and materials science, particularly for constructing kinase inhibitors and functionalized pyrrolopyrimidine derivatives under standard conditions.

Application

7-Bromo-2-chloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine serves as a versatile building block for purine-based heterocycles, enabling efficient late-stage functionalization in medicinal chemistry. Its complementary halogenation pattern facilitates palladium-catalyzed cross-coupling reactions and Suzuki-Miyaura transformations with high regioselectivity. The molecule exhibits excellent bench stability and simplifies purification due to its crystalline nature, making it well-suited for scalable synthesis of kinase inhibitors and nucleoside analogs.

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-P330-P405-P501

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Computational Chemistry Data

TPSA 30.71
LogP 2.3842
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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7-Bromo-2-chloro-5-methyl-5H-pyrrolo[3,2-d]pyrimidine

CAS No. 1936463-54-5

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