tert-Butyl 3-bromo-5H,6H,7H-pyrrolo[3,4-b]pyridine-6-carboxylate

Name: tert-Butyl 3-bromo-5H,6H,7H-pyrrolo[3,4-b]pyridine-6-carboxylate
Brand: ChemScene
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CAS No. 1393546-06-9
Cat. No. CS-0048312
Purity≥98%
MDL No.None

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tert-Butyl 3-bromo-5H,6H,7H-pyrrolo[3,4-b]pyridine-6-carboxylate|CS-0048312

Structure of 1393546-06-9

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Description

tert-Butyl 3-bromo-5H,6H,7H-pyrrolo[3,4-b]pyridine-6-carboxylate features a brominated pyrrolopyridine core with a bench-stable tert-butyl ester handle. This electrophilic scaffold integrates readily into cross-coupling reactions, enabling rapid access to functionalized heterocycles for medicinal chemistry and materials synthesis.

Application

tert-Butyl 3-bromo-5H,6H,7H-pyrrolo[3,4-b]pyridine-6-carboxylate serves as a versatile building block for the synthesis of pyrrolopyridine-based scaffolds. The bromo group enables palladium-catalyzed cross-coupling reactions, while the tert-butyl ester facilitates selective deprotection under mild acidic conditions. Its stability and compatibility with diverse functional groups make it ideal for iterative synthesis in medicinal chemistry and API development.

General Information

CAS No. 1393546-06-9
Cat. No. CS-0048312
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₅BrN₂O₂
Molecular Weight 299.16
Synonym(s) tert-butyl 3-broMo-5H-pyrrolo[3,4-b]pyridine-6(7H)-carboxylate
SMILES CC(C)(C)OC(=O)N1CC2=CC(Br)=CN=C2C1

Computational Chemistry Data

TPSA 42.43
LogP 3.0948
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Safety Information

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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-P362+P364-P405-P501

Quality Control

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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tert-Butyl 3-bromo-5H,6H,7H-pyrrolo[3,4-b]pyridine-6-carboxylate

CAS No. 1393546-06-9

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