tert-Butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

Name: tert-Butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
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CAS No. 945599-50-8
Cat. No. CS-B0564
Purity≥95%
MDL No.MFCD11045066

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tert-Butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate|CS-B0564

Structure of 945599-50-8

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General Information

CAS No. 945599-50-8
Cat. No. CS-B0564
Purity ≥95%
MDL No. MFCD11045066
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃ClN₂O₂
Molecular Weight 252.70
Synonym(s) 1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID,4-CHLORO-, 1,1-DIMETHYLETHYL ESTER
SMILES O=C(OC(C)(C)C)N1C2=NC=CC(Cl)=C2C=C1

Description

tert-Butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate features a sterically hindered tert-butyl ester that stabilizes the electron-deficient pyrrolopyridine core. This bench-stable scaffold integrates readily into late-stage functionalization workflows, enabling direct access to diverse heterocyclic architectures through palladium-catalyzed coupling reactions.

Application

tert-Butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate serves as a versatile building block for constructing substituted pyrrolopyridine scaffolds commonly found in pharmaceutical intermediates. The chloro group enables palladium-catalyzed cross-coupling reactions, while the tert-butyl ester provides stability and convenient deprotection under acidic conditions. Its robustness and functional group tolerance make it ideal for iterative synthesis in medicinal chemistry workflows.

Synthesis

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References
- Vanotti, Ermes; Amici, Raffaella; Bargiotti, Alberto; Berthelsen, Jens; Bosotti, Roberta; Ciavolella, Antonella; Cirla, Alessandra; Cristiani, Cinzia; D'Alessio, Roberto; Forte, Barbara; Isacchi, Antonella; Martina, Katia; Menichincheri, Maria; Molinari, Antonio; Montagnoli, Alessia; Orsini, Paolo; Pillan, Antonio; Roletto, Fulvia; Scolaro, Alessandra; Tibolla, Marcellino; Valsasina, Barbara; Varasi, Mario; Volpi, Daniele; Santocanale, Corrado Journal of Medicinal Chemistry, 2008 , vol. 51, # 3 p. 487 - 501

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 44.12
LogP 3.4729
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

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tert-Butyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

CAS No. 945599-50-8

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