6-(tert-Butyl) 3-ethyl 1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-3,6-dicarboxylate

Name: 6-(tert-Butyl) 3-ethyl 1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-3,6-dicarboxylate
Brand: ChemScene
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CAS No. 821785-75-5
Cat. No. CS-0037792
Purity≥98%
MDL No.MFCD12198787

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6-(tert-Butyl) 3-ethyl 1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-3,6-dicarboxylate|CS-0037792

Structure of 821785-75-5

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General Information

CAS No. 821785-75-5
Cat. No. CS-0037792
Purity ≥98%
MDL No. MFCD12198787
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₂₁N₃O₄
Molecular Weight None
Synonym(s) 6-tert-butyl 3-ethyl 4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3,6(7H)-dicarboxylate
SMILES O=C(C1=NNC2=C1CCN(C(OC(C)(C)C)=O)C2)OCC

Description

6-(tert-Butyl) 3-ethyl 1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-3,6-dicarboxylate features a sterically hindered tert-butyl group and ethyl ester functionalities that enhance solubility and stability. This scaffold integrates readily into medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds, offering robust performance under standard bench conditions.

Application

6-(tert-Butyl) 3-ethyl 1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-3,6-dicarboxylate serves as a versatile building block for the synthesis of pyrazolo[3,4-c]pyridine-based heterocycles. Its two ester functionalities enable sequential functionalization, while the tert-butyl and ethyl groups provide steric protection and modulate solubility. The scaffold exhibits excellent bench stability and compatibility with standard coupling and reduction protocols, facilitating efficient access to medicinally relevant frameworks in medicinal chemistry and process development.

Safety Information

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Signal Word : N/A	UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 84.52
LogP 1.8796
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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6-(tert-Butyl) 3-ethyl 1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-3,6-dicarboxylate

CAS No. 821785-75-5

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