7-Bromothiochroman-4-one

Name: 7-Bromothiochroman-4-one
Brand: ChemScene
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CAS No. 13735-16-5
Cat. No. CS-0328853
Purity≥98%
MDL No.MFCD22426388

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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+
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Structure of 13735-16-5

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Description

7-Bromothiochroman-4-one features a brominated thiophene-fused ketone core, offering enhanced reactivity for cross-coupling and functionalization. The electron-deficient aryl bromide enables efficient Pd-catalyzed transformations, while the sulfur heteroatom provides unique coordination potential. This bench-stable compound serves as a key scaffold in medicinal chemistry and materials synthesis.

Application

7-Bromothiochroman-4-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C7 position via palladium-catalyzed cross-coupling reactions. Its thiochroman-4-one core provides a rigid, electron-deficient scaffold suitable for incorporation into bioactive molecules. The bromine substituent offers high reactivity in Suzuki, Stille, and Negishi couplings, while the ketone functionality supports enolization and further derivatization. Bench-stable and readily purified by chromatography, it facilitates efficient synthesis of complex heterocyclic architectures.

General Information

CAS No. 13735-16-5
Cat. No. CS-0328853
Purity ≥98%
MDL No. MFCD22426388
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇BrOS
Molecular Weight 243.12
Synonym(s) 7-Brom-thiochromanon
SMILES C1=CC2=C(C=C1Br)SCCC2=O

Computational Chemistry Data

TPSA 17.07
LogP 3.1276
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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7-Bromothiochroman-4-one

CAS No. 13735-16-5

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