1,4-Diphenylbutane-1,4-dione

Name: 1,4-Diphenylbutane-1,4-dione
Brand: ChemScene
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CAS No. 495-71-6
Cat. No. CS-W012837
Purity≥98%
MDL No.MFCD00037818

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Description

1,4-Diphenylbutane-1,4-dione features two ketone groups flanked by aromatic phenyl rings, enabling its use in cycloaddition reactions and as a scaffold for heterocyclic synthesis. The conjugated system enhances stability and facilitates electrophilic functionalization under mild conditions.

Application

1,4-Diphenylbutane-1,4-dione serves as a versatile synthon in organic synthesis, enabling efficient construction of substituted cyclohexanediones and heterocyclic scaffolds via Robinson annulation. Its conjugated diketone system exhibits enhanced bench stability and facilitates selective enolization, supporting robust functional group tolerance in multistep sequences. The molecule functions as a key building block for complex carbocycles and aromatic systems commonly encountered in medicinal chemistry and materials science applications.

General Information

CAS No. 495-71-6
Cat. No. CS-W012837
Purity ≥98%
MDL No. MFCD00037818
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₄O₂
Molecular Weight 238.29
Synonym(s) 1,4-Diphenyl-1,4-butanedione
SMILES O=C(C1=CC=CC=C1)CCC(C2=CC=CC=C2)=O

Computational Chemistry Data

TPSA 34.14
LogP 3.5324
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 5

Safety Information

Download SDS

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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Other Classifications

Bioactive Molecules Natural Products

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1,4-Diphenylbutane-1,4-dione

CAS No. 495-71-6

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