2,6-Difluoro-4-methylbenzoic acid

Name: 2,6-Difluoro-4-methylbenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 1201597-23-0
Cat. No. CS-W021528
Purity≥98%
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+
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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2,6-Difluoro-4-methylbenzoic acid|CS-W021528

Structure of 1201597-23-0

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General Information

CAS No. 1201597-23-0
Cat. No. CS-W021528
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆F₂O₂
Molecular Weight 172.13
Synonym(s) None
SMILES CC1=CC(F)=C(C(O)=O)C(F)=C1

Description

This difluorinated benzoic acid features a methyl group at the 4-position, enhancing electron density and enabling selective derivatization. The ortho-fluorine substituents provide steric and electronic modulation, improving metabolic stability and solubility in organic media. Ideal for pharmaceutical intermediates and bioactive molecule synthesis under standard conditions.

Application

2,6-Difluoro-4-methylbenzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its ortho-fluorine substituents enhance metabolic stability and modulate electronic properties, while the methyl group provides a handle for further functionalization. The carboxylic acid functionality facilitates direct coupling reactions and salt formation, offering improved solubility and purification advantages in synthetic workflows.

Synthesis

Route1
- In-stock
  
  1201597-22-9
- ~51%
- In-stock
  
  1201597-23-0
References
- MERCK SHARP andamp;; DOHME CORP.; KOYAMA, Hiroo; SAHOO, Soumya, P.; YANG, Ginger Xu-Qiang; MILLER, Daniel, J. Patent: WO2010/129208 A1, 2010 ; Location in patent: Page/Page column 32-33 ; WO 2010/129208 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 37.3
LogP 1.97142
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,6-Difluoro-4-methylbenzoic acid

CAS No. 1201597-23-0

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