39562-25-9

39562-25-9 - Names and Identifiers

Name	Isopropyl 2-(3-nitrobenzylidene)acetoacetate
Synonyms	isopropyl-2-(3-nitrobenzolidene)acetoacetate Isopropyl-2-(3-Nitrobenzolidene)Acetoacetate Isopropyl 2-(3-nitrobenzylidene)acetoacetate ISOPROPYL 2-(M-NITROBENZYLIDENE)-ACETOACETATE Isopropyl-2-(3-nitrobenzylidene)-acetoacetate isopropyl 2-(3-nitrobenzylidene)-acetoacetate isopropyl 2-(m-nitrobenzylidene)-acetoacetate Isopropyl 2-(3-nitrobenzylidene)-3-oxobutanoate isopropyl 2-(3-nitrobenzylidene)-3-oxobutanoate 2- (3- nitro benzylidene) isopropyl acetoacetate (E)-isopropyl 2-(3-nitrobenzylidene)-3-oxobutanoate α-Acetyl-3-nitrobenzeneacrylic acid isopropyl ester (E)-ISOPROPYL 2-(3-NITROBENZYLIDENE)-3-OXOBUTANOATE propan-2-yl (2E)-2-(3-nitrobenzylidene)-3-oxobutanoate 2-(3-Nitrobenzylidene)acetoacetic acid isopropyl ester 2-(3-Nitrobenzylidene)-3-oxobutyric acid isopropyl ester 1-methylethyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
CAS	39562-25-9
EINECS	609-720-5
InChI	InChI=1/C14H15NO5/c1-9(2)20-14(17)13(10(3)16)8-11-5-4-6-12(7-11)15(18)19/h4-9H,1-3H3

39562-25-9 - Physico-chemical Properties

Molecular Formula	C14H15NO5
Molar Mass	277.27
Density	1.229±0.06 g/cm3(Predicted)
Melting Point	94 °C
Boling Point	404.9±35.0 °C(Predicted)
Flash Point	167.3°C
Vapor Presure	9.11E-07mmHg at 25°C
Storage Condition	2-8°C
Refractive Index	1.564

39562-25-9 - Introduction

Isopropyl 2-(3-nitrobenzylidene)acetoacetate is an organic compound with the formula C13H14N2O6. The following is a description of its nature, use, formulation and safety information:

Nature:
-Appearance: Isopropyl 2-(3-nitrobenzylidene)acetoacetate as pale yellow crystals or powder.
-Solubility: Soluble in organic solvents, such as ethanol, ether and dimethylformamide.
-Melting point: Its melting point range is 80-85°C.
-Toxicity: The compound has certain toxicity to the human body and the environment, and it is necessary to pay attention to safe operation.

Use:
- Isopropyl 2-(3-nitrobenzylidene)acetoacetate can be used as fluorescent dyes and organic synthesis intermediates. It can be used to prepare other complex organic compounds in organic synthesis, such as benzothiophene pyrrolothiophene derivatives.
-The compound can also be used in dye-sensitized solar cells, fluorescent probes and pharmaceutical fields.

Preparation Method:
The preparation method of Isopropyl 2-(3-nitrobenzylidene)acetoacetate generally includes the following steps:
1. First, 3-nitrobenzaldehyde and ethyl ketone formamide are reacted to generate 3-nitrobenzylidene compound.
2. Next, the compound obtained in the previous step is reacted with ethyl isopropyl acetate, and condensation reaction is carried out under acidic conditions to generate Isopropyl 2-(3-nitrobenzylidene)acetoacetate.
3. Finally, the target product is obtained by crystallization and purification process.

Safety Information:
- Isopropyl 2-(3-nitrobenzylidene)acetoacetate is an organic compound and must be operated in accordance with relevant laboratory safety regulations.
-Wear appropriate protective equipment such as goggles, gloves and lab coat during use.
-Avoid inhalation, ingestion and skin contact to prevent dust and vapors.
-In case of accidental contact with skin or eyes, rinse immediately with plenty of water and seek medical help if necessary.
-Store and handle the compound properly to avoid contact with strong oxidants and flammable substances.

Last Update：2024-04-09 21:01:54