1,3-Bis(pyridin-4-yl)propane-1,3-dione

Name: 1,3-Bis(pyridin-4-yl)propane-1,3-dione
Brand: ChemScene
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CAS No. 42899-59-2
Cat. No. CS-0170479
Purity≥97%
MDL No.MFCD11102779

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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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1,3-Bis(pyridin-4-yl)propane-1,3-dione|CS-0170479

Structure of 42899-59-2

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Description

1,3-Bis(pyridin-4-yl)propane-1,3-dione features a symmetric diketone core flanked by pyridyl groups, enabling strong coordination with transition metals. This architecture supports chelation in catalytic systems and facilitates integration into functional materials requiring rigid, electron-deficient platforms.

Application

1,3-Bis(pyridin-4-yl)propane-1,3-dione serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyridine-fused scaffolds through condensation and cyclization reactions. Its diketone functionality exhibits high reactivity with nucleophiles and amines, facilitating the construction of complex nitrogen-containing rings under mild conditions. The molecule demonstrates excellent bench stability and ease of purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science applications.

General Information

CAS No. 42899-59-2
Cat. No. CS-0170479
Purity ≥97%
MDL No. MFCD11102779
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₀N₂O₂
Molecular Weight 226.24
Synonym(s) 1,3-Bis(4-pyridyl)-1,3-propanedione
SMILES O=C(C=1C=CN=CC1)CC(=O)C=2C=CN=CC2

Computational Chemistry Data

TPSA 59.92
LogP 1.9323
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 4

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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Key Words

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1,3-Bis(pyridin-4-yl)propane-1,3-dione

CAS No. 42899-59-2

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