Methyl 3-amino-5-fluoro-2-methylbenzoate

Name: Methyl 3-amino-5-fluoro-2-methylbenzoate
Brand: ChemScene
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CAS No. 697739-04-1
Cat. No. CS-0161143
Purity≥98%
MDL No.MFCD16036853

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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+
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Methyl 3-amino-5-fluoro-2-methylbenzoate|CS-0161143

Structure of 697739-04-1

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General Information

CAS No. 697739-04-1
Cat. No. CS-0161143
Purity ≥98%
MDL No. MFCD16036853
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀FNO₂
Molecular Weight 183.18
Synonym(s) None
SMILES O=C(OC)C1=CC(F)=CC(N)=C1C

Description

Methyl 3-amino-5-fluoro-2-methylbenzoate features a trifunctional aromatic core integrating an amino group, fluorine substituent, and methyl ester. This electron-rich scaffold enables direct incorporation into diverse synthetic pathways, particularly in medicinal chemistry and agrochemical development. The molecule exhibits favorable solubility in common organic solvents and stability under standard bench conditions, facilitating straightforward handling and downstream derivatization.

Application

Methyl 3-amino-5-fluoro-2-methylbenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted benzimidazoles and other heterocyclic scaffolds. The ortho-methyl and meta-amino groups facilitate directed metalation and subsequent functionalization, while the ester group provides a handle for further derivatization. Bench-stable and readily purified by recrystallization, it exhibits excellent functional group tolerance in standard coupling and cyclization reactions.

Safety Information

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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

Quality Control

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Computational Chemistry Data

TPSA 52.32
LogP 1.50292
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

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 3-amino-5-fluoro-2-methylbenzoate

CAS No. 697739-04-1

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