7-Bromo-4H-chromen-4-one

Name: 7-Bromo-4H-chromen-4-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 168759-60-2
Cat. No. CS-W022531
Purity≥98%
MDL No.MFCD12196350

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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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Structure of 168759-60-2

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General Information

CAS No. 168759-60-2
Cat. No. CS-W022531
Purity ≥98%
MDL No. MFCD12196350
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₅BrO₂
Molecular Weight 225.04
Synonym(s) 7-bromochromen-4-one
SMILES BrC1=CC=C2C(=O)C=COC2=C1

Description

7-Bromo-4H-chromen-4-one is a brominated coumarin derivative featuring a reactive carbonyl group and electron-deficient aromatic ring. This structure enables direct functionalization in cross-coupling reactions and serves as a key scaffold for bioactive molecule synthesis. The compound exhibits stability under standard bench conditions and facilitates efficient derivatization in medicinal chemistry workflows.

Application

7-Bromo-4H-chromen-4-one serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted coumarin scaffolds. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, while the ketone functionality supports nucleophilic additions and condensation processes. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science applications.

Synthesis

Route1
- 945724-02-7
- ~98%
- In-stock
  
  168759-60-2
References
- WO2012/68234 A2, ; Page/Page column 629; 630 ;
Route2
- In-stock
  
  30186-18-6
- ~%
- In-stock
  
  168759-60-2
References
- WO2012/68234 A2, ;

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-H319
Precautionary Statements : P264-P270-P280

Quality Control

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Computational Chemistry Data

TPSA 30.21
LogP 2.5555
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Chromone compounds

Key Words

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7-Bromo-4H-chromen-4-one

CAS No. 168759-60-2

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