Methyl 2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-fluorobenzoate
[CAS# 1235865-75-4]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Piperazine
• Name: Methyl 2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-fluorobenzoate
• Molecular Formula: C₁₅H₁₁FN₂O₃
• Molecular Weight: 286.26
• CAS Registry Number: 1235865-75-4
• EC Number: 833-812-6
• SMILES: COC(=O)C1=C(C=C(C=C1)F)OC2=CN=C3C(=C2)C=CN3

Properties

• Solubility: Practically insoluble (0.046 g/L) (25 ºC), Calc.^*
• Density: 1.377±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2015 ACD/Labs)

Safety Data

• Hazard Symbols: GHS05;GHS07 Danger
• Hazard Statements: H302-H315-H318-H335
• Precautionary Statements: P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P354+P338-P317-P319-P321-P330-P332+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Serious eye damage	Eye Dam.	1	H318
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H302
Skin irritation	Skin Irrit.	2	H315

Discovory and Applicatios

Methyl 2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-fluorobenzoate is a noteworthy compound in contemporary organic chemistry, and its synthesis was first reported in the early 2020s. The researchers aimed to combine the pyrrolo[2,3-b]pyridine moiety with the fluorobenzoate to create compounds with enhanced biological activity and stability. The synthesis involves a series of steps, including the reaction of 4-fluorobenzoic acid with methanol, followed by the introduction of the pyrrolo[2,3-b]pyridine group via a nucleophilic substitution reaction.

This compound is of great significance in drug discovery and development. Its unique chemical structure makes it a valuable lead compound for the design of new drugs, especially those targeting specific biological pathways. The pyrrolo[2,3-b]pyridine moiety is known for its potential to interact with biological targets, while the fluorobenzoate group can enhance the pharmacokinetic properties of the compound. Researchers use it to develop targeted therapies with higher efficacy and selectivity.

Methyl 2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-fluorobenzoate has also been explored for its potential in materials science. Its ability to form stable compounds with a variety of substrates can be used to create functionalized materials. These materials can be used in electronic devices, sensors, and advanced coatings, where the unique properties of the compound can be exploited to improve performance.

In the field of synthetic chemistry, the compound is a useful intermediate in the preparation of complex molecules. Its structure allows chemists to explore new synthetic pathways and reaction mechanisms, helping to develop more efficient and selective chemical processes.