5-Isoxazolecarboxylic acid, 3-bromo-, ethyl ester

5-Isoxazolecarboxylic acid, 3-bromo-, ethyl ester - Names and Identifiers

Name	Ethyl 3-bromoisoxazole-5-carboxylate
Synonyms	3-Bromo-5-(ethoxycarbonyl)isoxazole ETHYL 3-BROMOISOXAZOLE-5-CARBOXYLATE Ethyl 3-bromoisoxazole-5-carboxylate ethyl 3-broMo-1,2-oxazole-5-carboxylate ethyl 3-bromo-1,2-oxazole-5-carboxylate 3-BROMO-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER 5-Isoxazolecarboxylic acid, 3-bromo-, ethyl ester
CAS	105174-97-8
InChI	InChI=1/C6H6BrNO3/c1-2-10-6(9)4-3-5(7)8-11-4/h3H,2H2,1H3

5-Isoxazolecarboxylic acid, 3-bromo-, ethyl ester - Physico-chemical Properties

Molecular Formula	C6H6BrNO3
Molar Mass	220.02
Density	1.617±0.06 g/cm3(Predicted)
Boling Point	279.1±20.0 °C(Predicted)
Flash Point	122.616°C
Vapor Presure	0.004mmHg at 25°C
pKa	-7.47±0.50(Predicted)
Storage Condition	under inert gas (nitrogen or Argon) at 2–8 °C
Refractive Index	1.511

5-Isoxazolecarboxylic acid, 3-bromo-, ethyl ester - Introduction

Ethyl 3-bromoisoxazole-5-carboxylate is an organic compound commonly abbreviated as BEF. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: Ethyl 3-bromoisoxazole-5-carboxylate is a colorless or slightly yellow liquid.
-molecular formula: its chemical formula is C7H7BrN2O2. It has a molecular weight of 223.04g/mol.
-Melting Point: Ethyl 3-bromoisoxazole-5-carboxylate has a melting point of about 90°C.
-Solubility: For organic solvents, such as ethanol, acetone and dimethylformamide, it is soluble, but its solubility in water is low.

Use:
-3-bromoisoxazole-5-carboxylic acid ethyl ester is mainly used as a chemical reagent and intermediate. It can be used in organic synthesis reactions, such as the synthesis of drugs, pesticides and dyes containing isoxazole derivatives.
-Due to its potential application in the synthesis of biologically active molecules, it can also be used in the field of drug synthesis and drug research.

Preparation Method:
-3-bromoisoxazole-5-carboxylic acid ethyl ester can be prepared by reacting 3-bromoisoxazole with ethyl formate. The specific preparation method is as follows:
1. 3-Bromoisoxazole and ethyl formate were added to the reaction vessel.
2. Under appropriate conditions, such as at room temperature or after heating, the reactants are weighted and stirred.
3. After a period of time, the reaction will proceed, and finally ethyl 3-bromoisoxazole-5-carboxylate will be obtained.
4. filtration or distillation can be pure.

Safety Information:
-3-bromoisoxazole-5-carboxylic acid ethyl ester should pay attention to protective measures during operation, wear appropriate protective gloves and eye protection equipment.
-It is an organic solvent and has a certain degree of volatility, so it should be operated in a well-ventilated place.
-Avoid direct contact with skin and eyes to avoid irritation and damage.
-During storage and handling, safe operating procedures should be followed to avoid contact with oxygen or other flammable substances to prevent fire or explosion.
-In case of contact or misuse, rinse immediately with plenty of water and seek medical attention.

Last Update：2024-04-09 20:49:11