Methyl 4-fluoro-3-methylbenzoate

Name: Methyl 4-fluoro-3-methylbenzoate
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CAS No. 180636-50-4
Cat. No. CS-W003270
Purity≥98%
MDL No.MFCD06203783

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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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Methyl 4-fluoro-3-methylbenzoate|CS-W003270

Structure of 180636-50-4

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Description

Methyl 4-fluoro-3-methylbenzoate is a fluorinated aromatic ester featuring a methyl group at the meta position and a fluoro substituent at the para position relative to the ester. This electron-deficient aryl scaffold enables efficient coupling in cross-coupling reactions, particularly under palladium catalysis. The compound exhibits excellent stability under standard bench conditions and demonstrates favorable solubility in common organic solvents, facilitating its use in synthetic workflows requiring precise functional group placement.

Application

Methyl 4-fluoro-3-methylbenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to substituted benzene scaffolds. Its ortho-methyl and para-fluoro substituents provide distinct sites for electrophilic substitution and cross-coupling reactions. The ester functionality facilitates downstream transformations including hydrolysis, reduction, or nucleophilic acyl substitution. Bench-stable and readily purified by chromatography, it functions effectively in standard coupling protocols and heterocycle synthesis.

General Information

CAS No. 180636-50-4
Cat. No. CS-W003270
Purity ≥98%
MDL No. MFCD06203783
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉FO₂
Molecular Weight 168.17
Synonym(s) 4-Fluoro-3-methylbenzoic acid methyl ester
SMILES COC(=O)c1ccc(c(c1)C)F

Computational Chemistry Data

TPSA 26.3
LogP 1.92072
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

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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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-fluoro-3-methylbenzoate

CAS No. 180636-50-4

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