1-(3,5-Difluoro-4-methoxyphenyl)ethan-1-one

Name: 1-(3,5-Difluoro-4-methoxyphenyl)ethan-1-one
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CAS No. 170570-79-3
Cat. No. CS-0132379
Purity≥97%
MDL No.MFCD00236243

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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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1-(3,5-Difluoro-4-methoxyphenyl)ethan-1-one|CS-0132379

Structure of 170570-79-3

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Description

1-(3,5-Difluoro-4-methoxyphenyl)ethan-1-one features a fluorinated aromatic core with methoxy and ketone functionalities, enabling direct integration into pharmaceutical intermediates. The electron-deficient aryl ring supports electrophilic substitution, while the bench-stable ketone facilitates downstream derivatization under standard conditions.

Application

1-(3,5-Difluoro-4-methoxyphenyl)ethan-1-one serves as a valuable building block in medicinal chemistry, enabling the construction of fluorinated aromatic scaffolds via standard coupling reactions. Its trifluoromethyl-substituted aryl ketone functionality offers enhanced metabolic stability and modulates lipophilicity, while the methoxy group provides a handle for further functionalization. The compound exhibits good bench stability and facilitates efficient synthesis of bioactive heterocycles and API intermediates under routine reaction conditions.

General Information

CAS No. 170570-79-3
Cat. No. CS-0132379
Purity ≥97%
MDL No. MFCD00236243
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈F₂O₂
Molecular Weight 186.16
Synonym(s) 1-(3,5-Difluoro-4-methoxyphenyl)ethanone
SMILES CC(C1=CC(F)=C(OC)C(F)=C1)=O

Computational Chemistry Data

TPSA 26.3
LogP 2.176
H_Acceptors 2
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 : H315-H319-H335
Precautionary Statements : P264-P271-P302+P352-P362-P501

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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(3,5-Difluoro-4-methoxyphenyl)ethan-1-one

CAS No. 170570-79-3

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