tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate

Name: tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
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CAS No. 1784831-22-6
Cat. No. CS-0079320
Purity≥98%
MDL No.None

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tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate|CS-0079320

Structure of 1784831-22-6

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Description

tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate features a brominated dihydropyrrolopyrazole core with a bench-stable tert-butyl ester handle. This electrophilic scaffold integrates readily into transition-metal-catalyzed couplings and serves as a versatile intermediate for constructing complex heterocyclic architectures in medicinal chemistry and materials science.

Application

tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate serves as a versatile building block for constructing substituted pyrrolopyrazole scaffolds. The bromide functionality enables palladium-catalyzed cross-coupling reactions, while the tert-butyl ester facilitates selective deprotection and functionalization. Its stability under standard bench conditions and compatibility with diverse reaction partners make it well-suited for medicinal chemistry campaigns requiring modular heterocycle synthesis.

General Information

CAS No. 1784831-22-6
Cat. No. CS-0079320
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₄BrN₃O₂
Molecular Weight 288.14
Synonym(s) tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
SMILES O=C(N1CC2=NNC(Br)=C2C1)OC(C)(C)C

Computational Chemistry Data

TPSA 58.22
LogP 2.4229
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 : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate

CAS No. 1784831-22-6

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