4,4-Difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Name: 4,4-Difluoro-1-(4-methoxyphenyl)butane-1,3-dione
Brand: ChemScene
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CAS No. 189347-40-8
Cat. No. CS-0302724
Molecule weight228.19
Purity≥95%
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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4,4-Difluoro-1-(4-methoxyphenyl)butane-1,3-dione|CS-0302724

Structure of 189347-40-8

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General Information

CAS No. 189347-40-8
Cat. No. CS-0302724
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₀F₂O₃
Molecular Weight 228.19
Synonym(s) 4,4-DIFLUORO-1-(4-METHOXY-PHENYL)-BUTANE-1,3-DIONE
SMILES COC1=CC=C(C=C1)C(=O)CC(=O)C(F)F

Description

This difluorinated diketone features a para-methoxyphenyl group that enhances solubility and electronic modulation. The 1,3-dione moiety offers high reactivity in enolization-driven transformations, enabling efficient coupling in synthetic sequences. Bench-stable under standard conditions, it serves as a key building block for fluorinated heterocycles and functionalized aromatic systems.

Application

4,4-Difluoro-1-(4-methoxyphenyl)butane-1,3-dione serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of fluorinated heterocycles and pharmaceutical scaffolds. Its α,α-difluoromethyl ketone functionality enhances electrophilicity and facilitates nucleophilic addition reactions under mild conditions. The molecule exhibits good bench stability and compatibility with diverse functional groups, simplifying purification and integration into multi-step syntheses.

Synthesis

Route1
- 454-31-9
- In-stock
  
  100-06-1
- ~%
- In-stock
  
  189347-40-8
References
- Li, Jin; Lundy DeMello, Kristin M.; Cheng, Henry; Sakya, Subas M.; Bronk, Brian S.; Rafka, Robert J.; Jaynes, Burton H.; Ziegler, Carl B.; Kilroy, Carolyn; Mann, Donald W.; Nimz, Eric L.; Lynch, Michael P.; Haven, Michelle L.; Kolosko, Nicole L.; Minich, Martha L.; Li, Chao; Dutra, Jason K.; Rast, Bryson; Crosson, Rhonda M.; Morton, Barry J.; Kirk, Glen W.; Callaghan, Kathleen M.; Koss, David A.; Shavnya, Andrei; Lund, Lisa A.; Seibel, Scott B.; Petras, Carol F.; Silvia, Annette Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 1 p. 95 - 98

Safety Information

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GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H314-H318
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

TPSA 43.37
LogP 2.1022
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4,4-Difluoro-1-(4-methoxyphenyl)butane-1,3-dione

CAS No. 189347-40-8

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