Methyl 4-amino-2,6-difluorobenzoate

Name: Methyl 4-amino-2,6-difluorobenzoate
Brand: ChemScene
Availability: InStock
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CAS No. 191478-99-6
Cat. No. CS-W006904
Purity≥96%
MDL No.MFCD16038807

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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-amino-2,6-difluorobenzoate|CS-W006904

Structure of 191478-99-6

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General Information

CAS No. 191478-99-6
Cat. No. CS-W006904
Purity ≥96%
MDL No. MFCD16038807
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇F₂NO₂
Molecular Weight 187.14
Synonym(s) Benzoic acid, 4-amino-2,6-difluoro-, methyl ester (9CI) USP/EP/BP
SMILES COC(=O)C1=C(F)C=C(N)C=C1F

Description

Methyl 4-amino-2,6-difluorobenzoate features a strategically positioned amino group flanked by two fluorine substituents, enabling enhanced electron density modulation and improved solubility in polar organic solvents. This scaffold integrates readily into pharmaceutical intermediates and functional materials, offering robust stability under standard bench conditions.

Application

Methyl 4-amino-2,6-difluorobenzoate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its ortho-fluorine substituents facilitate nucleophilic aromatic substitution, while the amino and ester groups provide orthogonal handles for further functionalization. The compound exhibits excellent bench stability and simplifies purification due to its crystalline nature, making it well-suited for scalable synthesis and downstream derivatization in API development workflows.

Synthesis

Route1
- 67-56-1
- In-stock
  
  28314-80-9
- ~%
- In-stock
  
  191478-99-6
References
- Allergan Sales, Inc. Patent: US6342602 B1, 2002 ; Location in patent: Page column 21,29 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
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 52.32
LogP 1.3336
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 4-amino-2,6-difluorobenzoate

CAS No. 191478-99-6

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