Ethyl 1,2-Benzisoxazole-3-carboxylate TCI E0731

Name: TCI E0731 57764-49-5 Ethyl 1,2-Benzisoxazole-3-carboxylate
Brand: TCI
SKU: TCI2510E073128493
Price: 1063650.0 IDR
Availability: InStock

Rp 1.063.650,00

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Berat 100mg

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Description

TCI E0731 Ethyl 1,2-Benzisoxazole-3-carboxylate (CAS 57764-49-5) is the ethyl ester of benzisoxazole-3-carboxylic acid, a heterocyclic compound that fuses a benzene ring with an isoxazole ring containing a nitrogen–oxygen bond. Tokyo Chemical Industry supplies it as a heterocyclic building block in a small 100 mg pack, a size typical of high-value compounds intended for research-scale work. In the laboratory, this compound serves as a starting material for constructing benzisoxazole derivatives, a scaffold widely recognised in medicinal chemistry because it appears frequently in active molecules under development.

The characteristics that make it a preferred choice rest on two features. First, the 1,2-benzisoxazole ring carries an N–O bond that can be opened in a controlled manner under basic or reductive conditions, so the compound is often exploited as a precursor toward other structures such as salicylonitrile derivatives. Second, the ester group at position 3 is an exceptionally versatile point of entry for further reaction: it can be hydrolysed to the carboxylic acid, transesterified, converted to an amide through aminolysis, or reduced to the corresponding alcohol. The combination of these reactive groups on one compact scaffold allows a single starting material to branch toward several different target structures.

In Indonesian laboratories, this compound is typically used at research scale rather than in production. The 100 mg pack suits synthetic chemistry groups in universities and research institutes that prepare small series of benzisoxazole derivatives for evaluation, as well as medicinal chemistry programmes exploring this scaffold. It is handled in ordinary synthetic glassware within a fume hood, and the modest quantity matches exploratory route development where only milligram amounts of each intermediate are required.

Laboratory Applications

Heterocyclic building block synthesis — the intact 1,2-benzisoxazole core is delivered ready-made, sparing the chemist a multi-step ring construction before derivatisation work can begin.
Medicinal chemistry scaffold development — benzisoxazole appears frequently in active molecules under development, making this ester a practical entry point for preparing analogue series at research scale.
Ester functional group transformations — the position-3 ester supports hydrolysis to the carboxylic acid, transesterification, aminolysis to amides, or reduction to the alcohol as needed.
Ring-opening precursor chemistry — the N–O bond can be cleaved under basic or reductive conditions, giving controlled access to other structures such as salicylonitrile derivatives.
Small-scale exploratory route development — the 100 mg pack matches early synthetic screening where several routes are tested on milligram quantities before any scale-up decision.

Specifications

Brand: TCI (Tokyo Chemical Industry)
CAS number: 57764-49-5
Catalogue number: E0731
Category: Chemistry > Building Blocks > Heterocyclic Building Blocks
Pack size: 100 mg
Storage: keep in the tightly closed original container as supplied by the manufacturer

Handling and Storage

Store the material in its original tightly closed container, kept in a cool, dry and well-ventilated place away from direct sunlight, moisture and incompatible substances. Because the pack size is only 100 mg, the container is small and easily misplaced, so keep it in a labelled secondary tray or box within the chemical store. Handle the compound inside a fume hood using standard laboratory personal protective equipment: safety goggles, gloves and a laboratory coat. Weigh out only the amount required and close the container promptly afterwards to limit exposure to air and humidity. Always consult the manufacturer's safety data sheet before use, and dispose of residues and contaminated consumables through the laboratory's chemical waste procedure rather than the general drain or bin.