Bicyclo[4.2.0]octa-1,3,5-trien-7-one

Name: Bicyclo[4.2.0]octa-1,3,5-trien-7-one
Brand: ChemScene
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CAS No. 3469-06-5
Cat. No. CS-W022591
Purity≥96%
MDL No.None

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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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Bicyclo[4.2.0]octa-1,3,5-trien-7-one|CS-W022591

Structure of 3469-06-5

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Description

Bicyclo[4.2.0]octa-1,3,5-trien-7-one features a rigid, electron-deficient tricyclic framework that enables selective Diels-Alder cycloadditions. The ketone at the 7-position enhances reactivity and serves as a handle for downstream functionalization. This compound delivers high regiocontrol in inverse-electron-demand processes and is stable under standard bench conditions.

Application

Bicyclo[4.2.0]octa-1,3,5-trien-7-one serves as a versatile synthon in synthetic organic chemistry, enabling efficient access to complex carbocyclic architectures. Its conjugated triene system and ketone functionality support Diels-Alder reactions, electrophilic additions, and functional group interconversions under mild conditions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows and the construction of bioactive scaffolds in medicinal chemistry.

General Information

CAS No. 3469-06-5
Cat. No. CS-W022591
Purity ≥96%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆O
Molecular Weight 118.13
Synonym(s) Bicyclo[4.2.0]octa-1(6),2,4-triene-7-one
SMILES C1=CC=CC2=C1CC2=O

Computational Chemistry Data

TPSA 17.07
LogP 1.4254
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

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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Key Words

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Bicyclo[4.2.0]octa-1,3,5-trien-7-one

CAS No. 3469-06-5

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