7-Chloro-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one

Name: 7-Chloro-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one
Brand: ChemScene
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CAS No. 1082267-76-2
Cat. No. CS-0160488
Molecule weight208.68
Purity≥98%
MDL No.MFCD11590853

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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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7-Chloro-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one|CS-0160488

Structure of 1082267-76-2

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General Information

CAS No. 1082267-76-2
Cat. No. CS-0160488
Purity ≥98%
MDL No. MFCD11590853
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃ClO
Molecular Weight 208.68
Synonym(s) 7-chloro-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
SMILES O=C1CCC(C)(C)C2=C1C=C(Cl)C=C2

Description

7-Chloro-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one is a sterically hindered, electron-deficient dihydronaphthalenone scaffold that integrates readily into synthetic sequences requiring aromatic stability and controlled reactivity. This compound serves as a robust building block for complex heterocycles and natural product analogs, offering predictable regioselectivity in coupling reactions under standard conditions.

Application

7-Chloro-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted naphthalene scaffolds. Its chlorine substituent at the 7-position provides a site for palladium-catalyzed cross-coupling reactions, while the dimethyl-substituted dihydronaphthalene core offers enhanced stability and favorable solubility. The ketone functionality facilitates nucleophilic additions and reductions, supporting downstream derivatization in medicinal chemistry and process development workflows.

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 : P261-P302+P352

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Computational Chemistry Data

TPSA 17.07
LogP 3.5941
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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7-Chloro-4,4-dimethyl-3,4-dihydronaphthalen-1(2H)-one

CAS No. 1082267-76-2

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