3-Isoxazolecarboxaldehyde, 5-(4-methylphenyl)-

3-Isoxazolecarboxaldehyde, 5-(4-methylphenyl)- - Names and Identifiers

Name	5-(4-methylphenyl)isoxazole-3-carbaldehyde
Synonyms	5-(p-Tolyl)isoxazole-3-carboxaldehyde 5-(4-methylphenyl)isoxazole-3-carbaldehyde 5-(4-methylphenyl)-1,2-oxazole-3-carbaldehyde 3-Isoxazolecarboxaldehyde, 5-(4-methylphenyl)-
CAS	640292-02-0
InChI	InChI=1/C11H9NO2/c1-8-2-4-9(5-3-8)11-6-10(7-13)12-14-11/h2-7H,1H3

3-Isoxazolecarboxaldehyde, 5-(4-methylphenyl)- - Physico-chemical Properties

Molecular Formula	C11H9NO2
Molar Mass	187.19
Density	1.179g/cm³
Melting Point	69-73 °C (lit.)
Boling Point	366.7°C at 760 mmHg
Flash Point	175.6°C
Solubility	soluble in Methanol
Vapor Presure	1.44E-05mmHg at 25°C
Appearance	powder to crystal
Color	White to Light yellow
Storage Condition	2-8℃
Refractive Index	1.58

3-Isoxazolecarboxaldehyde, 5-(4-methylphenyl)- - Risk and Safety

Hazard Symbols	Xn - Harmful
Risk Codes	R22 - Harmful if swallowed R36/37/38 - 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany	2

3-Isoxazolecarboxaldehyde, 5-(4-methylphenyl)- - Introduction

5-(4-methylphenyl)isoxazole-3-carbaldehyde is an organic compound whose chemical structure contains an isothiazole ring and a formaldehyde group, and a 4-methylphenyl functional group attached to the isothiazole ring. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: The appearance of 5-(4-methylphenyl)isoxazole-3-carbaldehyde is a light yellow to yellow solid.
-Melting point: about 77-81 ℃.
-Solubility: It has good solubility in common organic solvents.

Use:
5-(4-methylphenyl)isoxazole-3-carbaldehyde is a commonly used organic synthesis intermediate that can be used to synthesize many other organic compounds. It is mainly used in the pharmaceutical field as a key intermediate in drug development. It can also be used as a synthetic raw material for dyes and coatings.

Preparation Method:
The preparation of 5-(4-methylphenyl)isoxazole-3-carbaldehyde can be obtained by reacting 4-methylbenzonitrile with 5-bromoisothiazole synthesized by the Balfa-Octor synthesis method, and then reacting the obtained product with formaldehyde.

Safety Information:
Specific toxicity information for 5-(4-methylphenyl)isoxazole-3-carbaldehyde has not been publicly reported, so it is necessary to strictly follow laboratory safety procedures for use. Avoid contact with skin, eyes and respiratory tract, and avoid inhalation or intake. It is recommended to operate under well-ventilated laboratory conditions and wear personal protective equipment, such as laboratory gloves, safety glasses and masks. In case of any physical discomfort or accident, seek medical help immediately.

Last Update：2024-04-09 21:54:55