Methyl 4-amino-2-fluoro-3-methylbenzoate

Name: Methyl 4-amino-2-fluoro-3-methylbenzoate
Brand: ChemScene
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CAS No. 1206680-26-3
Cat. No. CS-0098634
Purity≥97%
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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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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Methyl 4-amino-2-fluoro-3-methylbenzoate|CS-0098634

Structure of 1206680-26-3

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Description

Methyl 4-amino-2-fluoro-3-methylbenzoate features a trifunctional aromatic core with electron-donating amino and methyl groups paired with an electron-withdrawing fluorine. This combination enables tunable reactivity in synthetic transformations, particularly in pharmaceutical intermediates where regioselective derivatization is critical. The ester functionality supports straightforward functional group interconversion under standard conditions.

Application

Methyl 4-amino-2-fluoro-3-methylbenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds. The ortho-fluoro group facilitates palladium-catalyzed coupling reactions, while the methyl ester and amino functionalities offer orthogonal handles for further derivatization. This compound exhibits excellent bench stability and is readily purified by standard chromatographic methods, making it well-suited for high-throughput synthesis and process-scale applications.

General Information

CAS No. 1206680-26-3
Cat. No. CS-0098634
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀FNO₂
Molecular Weight 183.18
Synonym(s) Benzoic acid, 4-aMino-2-fluoro-3-Methyl-, Methyl ester
SMILES O=C(OC)C1=CC=C(N)C(C)=C1F

Computational Chemistry Data

TPSA 52.32
LogP 1.50292
H_Acceptors 3
H_Donors 1
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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-amino-2-fluoro-3-methylbenzoate

CAS No. 1206680-26-3

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