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
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CAS No. 1393546-06-9
Cat. No. CS-0048312
Purity≥95%
MDL No.MFCD22544061

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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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General Information

CAS No. 1393546-06-9
Cat. No. CS-0048312
Purity ≥95%
MDL No. MFCD22544061
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₅BrN₂O₂
Molecular Weight None
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

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.

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-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 42.43
LogP 3.0948
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine 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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