Apixaban impurity 28

Name: Apixaban impurity 28
Brand: ChemScene
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CAS No. 536759-91-8
Cat. No. CS-M0374
Purity≥98%
MDL No.MFCD18251627

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 536759-91-8
Cat. No. CS-M0374
Purity ≥98%
MDL No. MFCD18251627
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₂H₂₀N₄O₆
Molecular Weight 436.42
Synonym(s) None
SMILES O=C(C1=NN(C2=C1CCN(C3=CC=C([N+]([O-])=O)C=C3)C2=O)C4=CC=C(C=C4)OC)OCC

Description

Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate features a fused pyrazolopyridine core with distinct electron-rich and electron-deficient aryl substituents. This scaffold integrates a methoxy-activated phenyl group at C1 and a nitro-bearing phenyl at C6, enabling precise tuning of reactivity in transition-metal-catalyzed transformations. The ester functionality supports downstream derivatization, while the saturated ring system enhances solubility and stability under standard bench conditions.

Application

Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate serves as a versatile scaffold for the synthesis of bioactive heterocycles, enabling efficient access to pyrazolopyridine-based intermediates. Its functional group array—comprising a nitro group, methoxy aryl, and ester—supports diverse transformations including reduction, nucleophilic substitution, and palladium-catalyzed coupling. The compound exhibits bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry campaigns and process development.

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 116.8
LogP 3.1687
H_Acceptors 8
H_Donors 0
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Apixaban impurity 28

CAS No. 536759-91-8

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