399-06-4

399-06-4 - Names and Identifiers

Name	4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione
Synonyms	AKOS MSC-0358 4,4,4-Trifluoro-1-(4-pyridyl)butane-1,3-dione 4,4,4-TRIFLUORO-1-PYRIDIN-4-YL-BUTANE-1,3-DIONE 4,4,4-Trifluoro-1-pyridin-4-yl-butane-1,3-dione 1,3-Butanedione, 4,4,4-trifluoro-1-(4-pyridyl)- 4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione 1,3-Butanedione, 4,4,4-trifluoro-1-(4-pyridinyl)- 4,4,4-Trifluoro-1-(pyridine-4-yl)-1,3-butanedione 4,4,4-TRIFLUORO-1-(PYRIDINE-4-YL)BUTANE-1,3-DIONE 4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione (3Z)-1,1,1-trifluoro-4-hydroxy-4-pyridin-4-ylbut-3-en-2-one
CAS	399-06-4
InChI	InChI=1/C9H6F3NO2/c10-9(11,12)8(15)5-7(14)6-1-3-13-4-2-6/h1-5,14H/b7-5-

399-06-4 - Physico-chemical Properties

Molecular Formula	C9H6F3NO2
Molar Mass	217.14
Density	1.351±0.06 g/cm3(Predicted)
Melting Point	213-214°C
Boling Point	269.5±35.0 °C(Predicted)
Flash Point	113.4°C
Vapor Presure	0.00504mmHg at 25°C
pKa	2.28±0.25(Predicted)
Storage Condition	Room Temprature
Refractive Index	1.501

399-06-4 - Introduction

4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione is an organic compound. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: Colorless crystalline solid.
-Molecular formula: C10H8F3NO2.
-Molecular weight: 235.17g/mol.
-Melting point: 53-55 ℃.
-Boiling point: 200-205 ℃.
-Solubility: Soluble in organic solvents, such as alcohol, ether, etc.

Use:
- 4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione is often used as an important reagent and catalyst in organic synthesis.
-It can be used to synthesize various fluorine-containing compounds and is widely used in the fields of medicine, material science and organic chemistry.

Preparation Method:
4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione is prepared as follows:
1. Mix 4,4, 4-trifluorobutanedione (Trifluoroacetylacetone) and pyridine (4-pyridine) in a molar ratio of 1:1 in an ice-water bath.
2. Azobisisobutyronitrile (Azobisisobutyronitrile) was then added as an initiator.
3. The reaction mixture is heated under an inert atmosphere and allowed to react for 4 to 6 hours.
4. After completion of the reaction, the reaction mixture was cooled and the final product was prepared by superimposing, washing and drying steps.

Safety Information:
- 4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione is an organic compound and should be handled with care.
-During use, follow laboratory safety procedures, wear protective gloves and goggles, and ensure a well-ventilated laboratory environment.
-Avoid inhalation, skin contact or ingestion of the compound.
-In case of contact with skin or eyes, rinse immediately with plenty of water and seek medical help.
-The compound should be stored in a closed container, away from flammable substances such as high temperature, fire and oxidizing agents.
-In waste treatment, the relevant laws and regulations should be followed and the waste should be disposed of in accordance with the relevant regulations.

Last Update：2024-04-09 15:17:57