2,2-dimethylchroman-4-one

CAS No. 3780-33-4
Cat. No. CS-W000530
Purity≥98%
MDL No.MFCD07369943

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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 3780-33-4

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Description

2,2-Dimethylchroman-4-one features a sterically hindered chromanone core with enhanced stability and improved solubility in organic solvents. This electron-deficient scaffold serves as a robust building block for synthesizing bioactive compounds and functional materials.

Application

2,2-Dimethylchroman-4-one serves as a stable, bench-ready building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its rigid chroman scaffold exhibits predictable reactivity in nucleophilic substitution and coupling reactions, while the gem-dimethyl group enhances metabolic stability and modulates lipophilicity. The ketone functionality enables facile derivatization via enolization or reduction, facilitating access to chiral centers and complex scaffolds relevant to medicinal chemistry campaigns.

General Information

CAS No. 3780-33-4
Cat. No. CS-W000530
Purity ≥98%
MDL No. MFCD07369943
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂O₂
Molecular Weight 176.21
Synonym(s) 2,2-Dimethyl-chroman-4-one
SMILES CC1(C)CC(=O)c2ccccc2O1

Computational Chemistry Data

TPSA 26.3
LogP 2.4304
H_Acceptors 2
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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2,2-dimethylchroman-4-one

CAS No. 3780-33-4

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