3-isoxazolecarboxylic acid, 5-(1-methylethyl)-

3-isoxazolecarboxylic acid, 5-(1-methylethyl)- - Names and Identifiers

Name	5-Isopropylisoxazole-3-carboxylic acid
Synonyms	Albb-009770 TIMTEC-BB SBB010358 CHEMBRDG-BB 4003153 5-Isopropylisoxazole-3-carboxylic acid 5-ISOPROPYLISOXAZOLE-3-CARBOXYLIC ACID 5-isopropyl-3-isoxazolecarboxylic acid 5-Isopropylisooxaole-3-carboxylic acid 3-isoxazolecarboxylic acid, 5-(1-methylethyl)- 3-Isoxazolecarboxylicacid,5-(1-methylethyl)-(9CI)
CAS	89776-74-9
InChI	InChI=1/C7H9NO3/c1-4(2)6-3-5(7(9)10)8-11-6/h3-4H,1-2H3,(H,9,10)

3-isoxazolecarboxylic acid, 5-(1-methylethyl)- - Physico-chemical Properties

Molecular Formula	C7H9NO3
Molar Mass	155.15
Density	1.211±0.06 g/cm3(Predicted)
Melting Point	69-73°C(lit.)
Boling Point	298.2±28.0 °C(Predicted)
Flash Point	134.1°C
Vapor Presure	0.000577mmHg at 25°C
pKa	3.43±0.10(Predicted)
Storage Condition	2-8°C
Refractive Index	1.501

3-isoxazolecarboxylic acid, 5-(1-methylethyl)- - Risk and Safety

Safety Description	S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes.
WGK Germany	3
Hazard Class	IRRITANT

3-isoxazolecarboxylic acid, 5-(1-methylethyl)- - Introduction

Acid (acid) is an organic compound. The following is a description of its nature, use, formulation and safety information:

Nature:
-Appearance: White crystalline solid
-Molecular formula: C7H9NO3
-Molecular weight: 155.15g/mol
-melting point: 159-161 ℃
-Solubility: insoluble in water, soluble in organic solvents

Use:
Acid is widely used in organic synthesis, especially in drug synthesis. It can be used as an intermediate or starting material to participate in the synthesis of various drugs and bioactive molecules. It can be used to synthesize antibiotics, anticancer drugs, antibacterial drugs, etc.

Preparation Method:
The preparation of the calcium acid can be achieved by a variety of methods. One commonly used method is the reaction of isopropylisoxazole with bromoacetic acid followed by hydroxylation to produce the desired product.

Safety Information:
-the toxicity of acid is relatively low, but it is still necessary to pay attention to safe operation.
-avoid contact with skin and eyes, such as contact with the application of plenty of water rinse.
-Wear appropriate protective equipment such as gloves, glasses and lab coats during operation and use.
-Avoid contact with oxidants and strong acids during storage, keep a well-ventilated place, and ensure that the container is sealed.

Please note that the above information is for reference only. Please operate and use chemical substances in accordance with the actual situation and safety requirements.

Last Update：2024-04-09 15:18:00