Ethyl 3-fluoro-4-methylbenzoate

Name: Ethyl 3-fluoro-4-methylbenzoate
Brand: ChemScene
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CAS No. 86239-00-1
Cat. No. CS-0042794
Purity≥98%
MDL No.MFCD06204523

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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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Ethyl 3-fluoro-4-methylbenzoate|CS-0042794

Structure of 86239-00-1

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General Information

CAS No. 86239-00-1
Cat. No. CS-0042794
Purity ≥98%
MDL No. MFCD06204523
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁FO₂
Molecular Weight 182.19
Synonym(s) ethyl 3-fluoro-4-methyl-benzoate
SMILES O=C(OCC)C1=CC=C(C)C(F)=C1

Description

Ethyl 3-fluoro-4-methylbenzoate features a fluorinated aromatic ring paired with an electron-donating methyl group, enhancing its reactivity in cross-coupling processes. The ester functionality enables direct use in synthetic transformations, while the ortho-fluorine imparts metabolic stability and modulates electronic properties. This compound serves as a key intermediate in pharmaceutical synthesis and materials chemistry.

Application

Ethyl 3-fluoro-4-methylbenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to substituted benzene scaffolds. Its ortho-fluoro and para-methyl groups provide complementary reactivity for palladium-catalyzed cross-coupling, nucleophilic aromatic substitution, and directed functionalization. The ester group facilitates further transformations, including hydrolysis and reduction, while the compound exhibits excellent bench stability and ease of purification in standard workflows.

Synthesis

Route1
- 64-17-5
- In-stock
  
  350-28-7
- ~95%
- In-stock
  
  86239-00-1
References
- EXELIXIS, INC.; BOLLU, Venkataiah; BOREN, Brant, Clayton; DALGARD, Jackline, Eve; FLATT, Brenton, T.; HAQ, Nadia; HUDSON, Sarah; MOHAN, Raju; MORRISSEY, Michael; PRATT, Benjamin; WANG, Tie-lin Patent: WO2010/93845 A1, 2010 ; Location in patent: Page/Page column 153 ; WO 2010/093845 A1

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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Computational Chemistry Data

TPSA 26.3
LogP 2.31082
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 3-fluoro-4-methylbenzoate

CAS No. 86239-00-1

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