Methyl 3,3,3-trifluoropropanoate丨CAS 18830-44-9

Methyl 3,3,3-trifluoropropanoate丨CAS 18830-44-9
Product Introduction:
Catalog No.: SS085817
CAS No.: 18830-44-9
Purity: 98% min
Product Name: Methyl 3,3,3-trifluoropropanoate
Molecular Formula: C4H5F3O2
Molecular Weight: 142.08
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Technical Parameters
Description

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Specifications

 

Appearance

Colorless or light yellow liquid

Purity

98% min

 

 

 

Applications

1. Intermediate in Organic and Fluorine Chemistry

Serves as a key building block in the synthesis of fluorinated compounds, valued for the –CF₃ group's influence on bioactivity, stability, and lipophilicity.

Used to prepare:

Trifluorinated acids, alcohols, and amides

Fluorinated pharmaceuticals and agrochemicals

Specialty polymers and materials

2. Pharmaceutical Development

methyl 3,3,3-trifluoropropanoate丨CAS 18830-44-9 acts as a precursor in the synthesis of fluorinated drug molecules, where the CF₃ group enhances:

Metabolic resistance

Membrane permeability

Binding affinity to biological targets

Commonly used in early-stage medicinal chemistry to introduce trifluoromethyl moieties into bioactive scaffolds.

3. Agrochemical Industry

Incorporated into synthesis routes for herbicides, insecticides, and fungicides, improving their environmental persistence and biological efficacy.

4. Material Science

Starting material in the preparation of fluorinated monomers, which are used to produce durable coatings, resins, and high-performance plastics with hydrophobic and chemically resistant properties.

5. Research and Development

Employed in fluorine chemistry research to explore electronic effects, lipophilicity, and steric modulation in synthetic targets.

Used in structure–activity relationship (SAR) studies for molecule optimization.


 

Benefits

1. Excellent Fluorine Source

The trifluoromethyl group imparts:

High electronegativity

Strong lipophilicity

Increased thermal and chemical stability

These properties are crucial in drug design and materials engineering.

2. Reactive Ester Functionality

The methyl ester group is easily modified via:

Hydrolysis to carboxylic acid

Reduction to alcohol

Amidation and other derivatizations

Makes the compound synthetically versatile for downstream chemistry.

3. Compact and Efficient

Small molecular size and low molecular weight offer high atom economy, aligning with green chemistry principles in industrial synthesis.

4. Stability and Storage

More stable and easier to handle than free acids or reactive trifluoro intermediates; suitable for long-term storage and transport under ambient conditions.


 

Conclusion

methyl 3,3,3-trifluoropropanoate丨CAS 18830-44-9 is a highly valuable fluorinated ester used extensively in the pharmaceutical, agrochemical, and materials industries. Its combination of trifluoromethyl functionality and synthetic versatility makes it a preferred intermediate for developing advanced chemical entities. With applications ranging from drug discovery to fluoropolymer synthesis, it plays a key role in modern organic and fluorine-based chemistry.

 

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