tert-Butyl 4,6-Dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate TCI D6462

Chemical Identity

Other names: 5-Boc-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole · 1,1-Dimethylethyl 4,6-Dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
CAS No.: 657428-42-7
PubChem: CID 7147072
Formula: C10H15N3O2
Molecular weight: 209.25 g/mol
Purity: >93.0%(HPLC)(T)
Storage: 0-10°C

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
SMILES: CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2
InChIKey: IBUNCTVDGYIKAP-UHFFFAOYSA-N
MDL: MDL08061257

Rp 2.174.550,00

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TCI D6462 tert-Butyl 4,6-Dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate (CAS 657428-42-7) is a bicyclic heterocyclic building block that fuses a pyrazole ring to a pyrrolidine ring within a single rigid framework, with the pyrrolidine nitrogen already protected by a tert-butoxycarbonyl (Boc) group. In organic synthesis and medicinal chemistry laboratories, this compound serves as a ready-to-use scaffold core that saves a considerable number of synthetic steps. Researchers do not need to construct the fused ring system from scratch; instead, they can directly functionalise the two available nitrogen sites according to the design of the target molecule under development.

The principal characteristic that makes this material a frequent choice is the presence of two nitrogen atoms with clearly differentiated reactivity. The pyrazole nitrogen (NH) is weakly nucleophilic and can be selectively alkylated, arylated, or acylated, while the pyrrolidine nitrogen remains safely protected behind the Boc group until it is unmasked in a later stage using conventional acidic conditions. This orthogonality gives the researcher full control over reaction sequence. In addition, the bicyclic framework is rich in sp3 character, which contributes three-dimensionality to the molecules built from it, a property increasingly valued in modern lead design.

In Indonesian laboratories, this building block is typically used in university and institutional research groups working on medicinal chemistry, heterocyclic methodology, and small-molecule discovery programmes. It is normally handled at milligram to gram scale on a standard synthesis bench equipped with a fume hood, inert-atmosphere line, and routine chromatographic purification. Because the fused core is supplied pre-formed and pre-protected, groups with limited synthetic capacity can begin work directly at the functionalisation stage rather than investing weeks in ring construction.

Related TCI products

Medicinal chemistry scaffold development, where the pre-formed pyrrolo[3,4-c]pyrazole core provides a rigid, sp3-rich starting point for building analogue series around a fixed three-dimensional geometry.
Selective N-functionalisation studies at the pyrazole NH, since the weakly nucleophilic pyrazole nitrogen can be alkylated, arylated, or acylated while the Boc-protected pyrrolidine nitrogen remains untouched throughout.
Orthogonal protecting-group strategy work, because the Boc group tolerates a wide range of reactions and is removed cleanly under conventional acidic conditions only when the researcher chooses.
Heterocyclic methodology research, where the fused bicyclic framework serves as a defined substrate for testing new coupling, substitution, and ring-decoration reactions on a constrained system.
Small-molecule library synthesis, as the two chemically distinct nitrogen sites allow systematic diversification in a controlled sequence without the need to construct the fused ring system first.

Brand	TCI (Tokyo Chemical Industry)
CAS number	657428-42-7
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Heterocyclic Building Blocks
Pack sizes	available in standard TCI research-scale packaging; please confirm the pack sizes currently listed for this item
Physical form	—
Storage	store according to the conditions stated on the manufacturer label and Safety Data Sheet

Product code: D6462

Store the container tightly closed in a cool, dry, well-ventilated area away from direct sunlight, heat sources, moisture, and strong acids, following the storage conditions stated on the manufacturer label and Safety Data Sheet. Keep the material in its original supplier container, or transfer it to a clean, dry, chemically compatible amber glass vessel with a secure closure. Handle the compound in a fume hood while wearing safety goggles, gloves, and a laboratory coat. Avoid generating or inhaling dust, and weigh out portions promptly to limit exposure of the bulk material to atmospheric moisture. Note that Boc-protected amines are sensitive to acidic conditions, so keep the material segregated from acids in storage. Review the full Safety Data Sheet before first use, and dispose of residues and contaminated consumables through your institution's chemical waste procedures.

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