tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate

Name: tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
Brand: ChemScene
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CAS No. 657428-42-7
Cat. No. CS-B0998
Purity≥97%
MDL No.MFCD08061257

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tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate|CS-B0998

Structure of 657428-42-7

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Description

tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate features a fused bicyclic core with a reducible pyrazole ring and a bench-stable tert-butyl ester handle. This scaffold integrates readily into heterocyclic synthesis, offering access to functionalized pyrrolopyrazoles via hydrogenation or cross-coupling. The electron-rich dihydropyrrolo system enables selective derivatization under mild conditions.

Application

tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and synthetic methodology development. The dihydropyrrolopyrazole core provides a rigid, nitrogen-rich scaffold with defined regiochemistry, enabling selective functionalization at the C5 position. Its tert-butyl ester group offers bench stability and facilitates straightforward deprotection under mild acidic conditions. The molecule exhibits excellent functional group tolerance and participates reliably in standard coupling reactions, making it well-suited for fragment-based drug discovery and API intermediate synthesis.

General Information

CAS No. 657428-42-7
Cat. No. CS-B0998
Purity ≥97%
MDL No. MFCD08061257
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₅N₃O₂
Molecular Weight None
Synonym(s) tert-Butyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-carboxylat
SMILES O=C(N(C1)CC2=C1C=NN2)OC(C)(C)C

Computational Chemistry Data

TPSA 58.22
LogP 1.6604
H_Acceptors 3
H_Donors 1
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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate

CAS No. 657428-42-7

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