Lot numbers can be found on the outside label of a product:
tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
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CAS No. 657428-42-7
- Cat. No. CS-B0998
- Purity≥97%
- MDL No.MFCD08061257
*For research and further manufacturing use only, not for direct human use.
![tert-Butyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate|CS-B0998](https://file.chemscene.com/productPIC/CS-B0998.gif)
Structure of 657428-42-7
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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
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.
Synthesis
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Route1
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905274-02-4 - ~%
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In-stock
657428-42-7
References
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US2010/120863 A1, ; Page/Page column 22 ; US 20100120863 A1
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Route2
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![2,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole|CS-D0269](https://file.chemscene.com/productPIC/CS-D0269.gif)
6573-19-9 -
In-stock
24424-99-5 - ~96%
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In-stock
657428-42-7
References
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Biftu, Tesfaye; Sinha-Roy, Ranabir; Chen, Ping; Qian, Xiaoxia; Feng, Dennis; Kuethe, Jeffrey T.; Scapin, Giovanna; Gao, Ying Duo; Yan, Youwei; Krueger, Davida; Bak, Annette; Eiermann, George; He, Jiafang; Cox, Jason; Hicks, Jacqueline; Lyons, Kathy; He, Huaibing; Salituro, Gino; Tong, Sharon; Patel, Sangita; Doss, George; Petrov, Aleksandr; Wu, Joseph; Xu, Shiyao Sherrie; Sewall, Charles; Zhang, Xiaoping; Zhang, Bei; Thornberry, Nancy A.; Weber, Ann E. Journal of Medicinal Chemistry, 2014 , vol. 57, # 8 p. 3205 - 3212
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Route3
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101385-93-7 - ~%
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In-stock
657428-42-7
References
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WO2009/14676 A1, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 58.22
- LogP 1.6604
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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