393-85-1 | 2-NITRO-5-FLUOROBENZOIC ACID, METHYL ESTER

CAS:393-85-1 | 2-NITRO-5-FLUOROBENZOIC ACID, METHYL ESTER,Description

Synthesis Analysis

The synthesis of related compounds involves multi-step chemical reactions utilizing various starting materials. For instance, 4-Chloro-2-fluoro-5-nitrobenzoic acid, a closely related compound, has been used as a multireactive building block for the heterocyclic oriented synthesis (HOS), leading to various nitrogenous heterocycles through immobilization on Rink resin followed by chlorine substitution and reduction of the nitro group (Křupková et al., 2013) . Similarly, the optimization of synthesis routes for compounds like Methyl 2-amino-5-fluorobenzoate demonstrates the importance of selecting appropriate reaction conditions for achieving high yields and purity (Jian-zhong, 2010).

Molecular Structure Analysis

The molecular structure of compounds similar to Methyl 5-fluoro-2-nitrobenzoate showcases distinct hydrogen-bonded patterns, which are crucial for their chemical behavior. Studies on similar structures have revealed the formation of chains and sheets through hydrogen bonding, indicating a polarized structure that influences their reactivity and interaction with other molecules (Portilla et al., 2007).

Chemical Reactions and Properties

The chemical reactions involving similar compounds demonstrate a wide range of reactivity, forming diverse libraries of heterocycles crucial for drug discovery. The ability to undergo transformations through specific reactions like nitration, reduction, and cyclization highlights their versatility in synthetic chemistry (Křupková et al., 2013) .

Physical Properties Analysis

The physical properties, such as melting points, IR, NMR, and GC-MS, are key in characterizing these compounds. Accurate determination of these properties confirms the structure and purity of the synthesized compounds, as demonstrated in studies on related chemicals (Jian-zhong, 2010).

Chemical Properties Analysis

The chemical properties, including reactivity and the formation of hydrogen-bonded structures, play a significant role in the utility of compounds like Methyl 5-fluoro-2-nitrobenzoate. Their ability to form chains and sheets through hydrogen bonds affects their solubility, stability, and interaction with other molecules, which is crucial for their application in synthesizing complex heterocyclic compounds (Portilla et al., 2007).

Safety And Hazards

Methyl 5-fluoro-2-nitrobenzoate may cause skin irritation, serious eye irritation, and respiratory irritation. It is harmful by inhalation, in contact with skin, and if swallowed.

Future Directions

Methyl 5-fluoro-2-nitrobenzoate is a key intermediate for the manufacture of synthetic 6-bromomethyl-3,4-dihydro-2-methyl-quinazolin-4-one as the material for the production of raltitrexed, which is an antimetabolite drug used in cancer chemotherapy. The future directions of this compound could be in the development of new synthesis methods and its application in the synthesis of other pharmaceutical compounds.

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