Benzenepropanoic acid, 4-fluoro-.beta.-oxo-,ethyl ester
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate
CAS: 1999-00-4
Molecular Formula: C11H11FO3
Benzenepropanoic acid, 4-fluoro-.beta.-oxo-,ethyl ester - Names and Identifiers
| Name | Ethyl 3-(4-fluorophenyl)-3-oxopropanoate |
| Synonyms | Ethyl 4-Fluorobenzoylacetate ETHYL 4-FLUOROBENZOYLACETATE ETHYL (P-FLUOROBENZOYL)ACETATE Ethyl (P-Fluorobenzoyl)Acetate 3-(4'-Fluorophenyl)-3-oxopropanoate 4-Fluorobenzoylacetic acid ethyl ester p-Fluorobenzoylacetic acid ethyl ester ETHYL 3-(4'-FLUOROPHENYL)-3-OXOPROPNOATE (benzylamino)(4-fluorophenyl)acetic acid Ethyl 3-(4'-Fluorophenyl)-3-Oxopropnoate (4-FLUOROBENZOYL)ACETIC ACID ETHYL ESTER (4-Fluorobenzoyl)Acetic Acid Ethyl Ester Ethyl 3-(4-fluorophenyl)-3-oxopropanoate 3-Oxo-3-(4-fluorophenyl)propanoic acid ethyl ester 3-(4-Fluoro-Phenyl)-3-Oxo-Propionic Acid Ethyl Ester 3-(4-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Benzenepropanoic acid, 4-fluoro-.beta.-oxo-,ethyl ester |
| CAS | 1999-00-4 |
| InChI | InChI=1/C15H14FNO2/c16-13-8-6-12(7-9-13)14(15(18)19)17-10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19) |
| InChIKey | SJUXLKYJKQBZLM-UHFFFAOYSA-N |
Benzenepropanoic acid, 4-fluoro-.beta.-oxo-,ethyl ester - Physico-chemical Properties
| Molecular Formula | C11H11FO3 |
| Molar Mass | 210.2 |
| Density | 1.174g/mLat 25°C(lit.) |
| Melting Point | 117-120℃ |
| Boling Point | 117-120°C(lit.) |
| Flash Point | >230°F |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | clear liquid |
| Specific Gravity | 1.19 |
| Color | Colorless to Almost colorless |
| pKa | 9.82±0.25(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.5040(lit.) |
| Physical and Chemical Properties | WGK Germany:3 |
Benzenepropanoic acid, 4-fluoro-.beta.-oxo-,ethyl ester - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29183000 |
| Hazard Note | Irritant |
Benzenepropanoic acid, 4-fluoro-.beta.-oxo-,ethyl ester - Introduction
Ethyl 3-(4-fluorophenyl)-3-oxopropanoate, with the chemical formula C9H9FO2, is an organic compound. The following is a description of the properties, uses, preparation and safety information of the compound:
Nature:
-Appearance: Ethyl 3-(4-fluorophenyl)-3-oxopropanoate is a colorless to light yellow liquid.
-Solubility: It dissolves well in organic solvents such as ethanol, ether and chloroform.
-Melting point and boiling point: Its melting point is about -18 ° C, and its boiling point is 199-201 ° C.
-Toxicity: Ethyl 3-(4-fluorophenyl)-3-oxopropanoate may have certain toxicity and need to be used carefully.
Use:
-Chemical reagent: It is commonly used as an acylation reagent and a fluorine atom introduction reagent in organic synthesis reactions.
-Pesticide intermediate: In the agricultural field, it can be used as a synthetic precursor for certain pesticides and herbicides.
-Drug synthesis: It can also be used as a synthetic intermediate for certain drugs, such as certain anti-inflammatory drugs.
Method:
The preparation method of Ethyl 3-(4-fluorophenyl)-3-oxopropanoate is usually obtained by reacting 4-fluorobenzoic acid and Ethyl acetoacetate under acidic conditions. The reaction requires appropriate safety measures, such as wearing protective gloves and glasses, and is carried out in a well-ventilated laboratory.
Safety Information:
- Ethyl 3-(4-fluorophenyl)-3-oxopropanoate may be toxic and should be avoided by inhalation and skin contact.
-Wear appropriate personal protective equipment, such as protective gloves and glasses, during use and handling.
-Avoid contact with strong oxidants and strong acids to avoid dangerous reactions.
-When storing, it should be placed in a cool, dry, well-ventilated place, away from fire and flammable substances.
-When handling the compound, correct handling and disposal methods should be followed to comply with local environmental and safety regulations.
Nature:
-Appearance: Ethyl 3-(4-fluorophenyl)-3-oxopropanoate is a colorless to light yellow liquid.
-Solubility: It dissolves well in organic solvents such as ethanol, ether and chloroform.
-Melting point and boiling point: Its melting point is about -18 ° C, and its boiling point is 199-201 ° C.
-Toxicity: Ethyl 3-(4-fluorophenyl)-3-oxopropanoate may have certain toxicity and need to be used carefully.
Use:
-Chemical reagent: It is commonly used as an acylation reagent and a fluorine atom introduction reagent in organic synthesis reactions.
-Pesticide intermediate: In the agricultural field, it can be used as a synthetic precursor for certain pesticides and herbicides.
-Drug synthesis: It can also be used as a synthetic intermediate for certain drugs, such as certain anti-inflammatory drugs.
Method:
The preparation method of Ethyl 3-(4-fluorophenyl)-3-oxopropanoate is usually obtained by reacting 4-fluorobenzoic acid and Ethyl acetoacetate under acidic conditions. The reaction requires appropriate safety measures, such as wearing protective gloves and glasses, and is carried out in a well-ventilated laboratory.
Safety Information:
- Ethyl 3-(4-fluorophenyl)-3-oxopropanoate may be toxic and should be avoided by inhalation and skin contact.
-Wear appropriate personal protective equipment, such as protective gloves and glasses, during use and handling.
-Avoid contact with strong oxidants and strong acids to avoid dangerous reactions.
-When storing, it should be placed in a cool, dry, well-ventilated place, away from fire and flammable substances.
-When handling the compound, correct handling and disposal methods should be followed to comply with local environmental and safety regulations.
Last Update：2024-04-09 02:00:44
