2-(3-methylisoxazol-5-yl)acetic acid

2-(3-methylisoxazol-5-yl)acetic acid - Names and Identifiers

Name	3-METHYL-5-ISOXAZOLEACETIC ACID
Synonyms	3-Methylisoxazole-5-acetic Acid 3-METHYL-5-ISOXAZOLEACETIC ACID 5-Isoxazoleacetic acid, 3-Methyl- 3-METHYL-5-ISOXAZOLEACETIC ACID 98 (3-Methylisoxazol-5-yl)acetic acid 5-(Carboxymethyl)-3-methylisoxazole 3-METHYL-5-ISOXAZOLEACETIC ACID 98 2-(3-methylisoxazol-5-yl)acetic acid 2-(3-methyl-1,2-oxazol-5-yl)acetic acid
CAS	19668-85-0
InChIKey	POEFJFLAFQWOTL-UHFFFAOYSA-N

2-(3-methylisoxazol-5-yl)acetic acid - Physico-chemical Properties

Molecular Formula	C6H7NO3
Molar Mass	141.12
Density	1.292±0.06 g/cm3(Predicted)
Melting Point	101-104 °C (lit.)
Boling Point	306.7±27.0 °C(Predicted)
Appearance	Form Fine Crystalline Powder or Needle-Like Crystals, color White, darkens on exposure to light
Color	White, darkens on exposure to light
pKa	3.70±0.10(Predicted)
Storage Condition	2-8°C

2-(3-methylisoxazol-5-yl)acetic acid - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
WGK Germany	3
HS Code	29349990

2-(3-methylisoxazol-5-yl)acetic acid - Introduction

3-METHYL-5-ISOXAZOLEACETIC ACID is an organic compound with the chemical formula C6H7NO3. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: White crystalline solid
-Melting Point: 157-160 ℃
-relative molecular mass: 141.13g/mol
-Solubility: Slightly soluble in water, soluble in alcohol, ether and organic solvents
-Chemical properties: 3-methyll-5-isoxazoleacetic ACID can be acylated, carbonylated and substituted by ACID-catalyzed reactions.

Use:
-Pharmaceutical field: 3-METHYL-5-ISOXAZOLEACETIC ACID is used as a synthetic intermediate and is commonly used in the preparation of drugs and biologically active molecules.
-Pesticide field: It can also be used as a raw material for pesticides, used to prepare pesticides, fungicides and herbicides.

Method:
The preparation method of 3-methyll-5-isoxazoleacetic ACID is more complicated, but it can be carried out through the following steps:
1. First prepare 5-Isoxazolylmethanol (5-Isoxazolylmethanol).
2. Using pyruvic acid (Acetone) and Potassium nitrate (Potassium nitrate) in the presence of iodide ions for nitration reaction, preparation of 5-Isoxazolylcarboxylic acid (5-Isoxazolylcarboxylic acid).
3. Acylation of 5-isoxazolyl carboxylic ACID using methanol and sulfuric ACID to generate 3-METHYL-5-ISOXAZOLEACETIC ACID.

Safety Information:
When handling 3-methyll-5-isoxazoleacetic ACID, the following safety precautions should be taken:
-Avoid contact with skin and eyes. If contact occurs, rinse immediately with plenty of water.
-Wear appropriate personal protective equipment such as goggles, gloves and lab coats.
-Avoid inhaling its vapor or dust, and provide adequate ventilation during operation.
-When performing laboratory-scale preparations, follow the safe practices of the chemical laboratory.

Last Update：2024-04-09 02:00:51