5,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one

Name: 5,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one
Brand: ChemScene
Availability: InStock
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CAS No. 4136-26-9
Cat. No. CS-0153800
Purity≥96%
MDL No.MFCD18072919

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5,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one|CS-0153800

Structure of 4136-26-9

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Description

5,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one features a sterically hindered indanone core with two methoxy groups at the 5,6-positions, enhancing solubility and electronic modulation. This bench-stable ketone serves as a key building block in synthetic organic chemistry, particularly for constructing complex heterocycles and natural product analogs under mild reaction conditions.

Application

5,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one serves as a versatile building block in medicinal chemistry, offering a rigid, electron-rich indenone scaffold with orthogonal functional handles. The dimethoxy substitution enhances solubility and modulates electronic properties, while the 3,3-dimethyl group provides steric protection and metabolic stability. This compound facilitates efficient access to complex heterocyclic systems and functions effectively in palladium-catalyzed coupling reactions, enabling streamlined synthesis of bioactive molecules.

General Information

CAS No. 4136-26-9
Cat. No. CS-0153800
Purity ≥96%
MDL No. MFCD18072919
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₆O₃
Molecular Weight 220.26
Synonym(s) 5,6-dimethoxy-3,3-dimethyl-2H-inden-1-one
SMILES CC1(C)CC(=O)C2=CC(=C(C=C21)OC)OC

Computational Chemistry Data

TPSA 35.53
LogP 2.5678
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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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5,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one

CAS No. 4136-26-9

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