7-Bromo-2,2-dimethyl-3H-chromen-4-one

Name: 7-Bromo-2,2-dimethyl-3H-chromen-4-one
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CAS No. 130200-01-0
Cat. No. CS-0061116
Purity≥98%
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+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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7-Bromo-2,2-dimethyl-3H-chromen-4-one|CS-0061116

Structure of 130200-01-0

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Description

7-Bromo-2,2-dimethyl-3H-chromen-4-one features a brominated coumarin core with a sterically shielded dimethyl-substituted C2 position, enhancing stability and modulating electronic properties. This scaffold integrates readily into synthetic routes for bioactive molecules, leveraging its electron-deficient benzene ring and reactive carbonyl group for efficient coupling reactions under standard conditions.

Application

7-Bromo-2,2-dimethyl-3H-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 2,2-dimethyl substitution enhances bench stability and simplifies purification. The molecule functions effectively in heterocyclic synthesis and as a key intermediate in the development of bioactive compounds requiring a sterically protected chromenone core.

General Information

CAS No. 130200-01-0
Cat. No. CS-0061116
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₁BrO₂
Molecular Weight 255.11
Synonym(s) 7-BROMO-2,3-DIHYDRO-2,2-DIMETHYLCHROMEN-4-ONE
SMILES CC1(C)CC(=O)C2=C(C=C(C=C2)Br)O1

Computational Chemistry Data

TPSA 26.3
LogP 3.1929
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-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

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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7-Bromo-2,2-dimethyl-3H-chromen-4-one

CAS No. 130200-01-0

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