Ethyl (3-chlorobenzoyl)acetate
|
|
|
- CAS-Nr.
- 33167-21-4
- Englisch Name:
- Ethyl (3-chlorobenzoyl)acetate
- Synonyma:
- ETHYL 3-(3-CHLOROPHENYL)-3-OXOPROPANOATE;ETHYL (3-CHLOROBENZOYL)ACETATE;Ethyl 2-(3-chlorobenzoyl)acetate;Ethyl (3-chlorobenzoyl)acetate >=97%;Ethyl 3-chloro-β-oxobenzenepropanoate;2-[(3-chlorophenyl)-oxomethyl]butanoate;Ethyl (3-chlorobenzoyl)acetate;3-Chloro--oxobenzenepropanoic acid ethyl ester;3-(3-chlorophenyl)-3-oxopropanoic acid ethyl ester;Benzenepropanoic acid, 3-chloro-β-oxo-, ethyl ester
- CBNumber:
- CB1359370
- Summenformel:
- C11H11ClO3
- Molgewicht:
- 226.66
- MOL-Datei:
- 33167-21-4.mol
|
Ethyl (3-chlorobenzoyl)acetate Eigenschaften
- Siedepunkt:
- 257-258 °C (lit.)
- Dichte
- 1.213 g/mL at 25 °C (lit.)
- Brechungsindex
- n20/D 1.5460(lit.)
- Flammpunkt:
- >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.91±0.46(Predicted)
- Aussehen
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3
- InChIKey
- WWFYJJHEBDWEJF-UHFFFAOYSA-N
- SMILES
- C1(=CC=CC(Cl)=C1)C(=O)CC(=O)OCC
- CAS Datenbank
- 33167-21-4(CAS DataBase Reference)
Sicherheit
- Risiko- und Sicherheitserkl?rung
- Gefahreninformationscode (GHS)
| WGK Germany |
3 |
|
|
| Speicherklasse |
10 - Combustible liquids |
|
|
| Bildanzeige (GHS) |
|
| Alarmwort |
Warnung
|
| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H315 |
Verursacht Hautreizungen. |
Hautreizung |
Kategorie 2 |
Warnung |
|
P264, P280, P302+P352, P321,P332+P313, P362 |
| H319 |
Verursacht schwere Augenreizung. |
Schwere Augenreizung |
Kategorie 2 |
Warnung |
|
P264, P280, P305+P351+P338,P337+P313P |
| H335 |
Kann die Atemwege reizen. |
Spezifische Zielorgan-Toxizit?t (einmalige Exposition) |
Kategorie 3 (Atemwegsreizung) |
Warnung |
|
|
|
| Sicherheit |
| P264 |
Nach Gebrauch gründlich waschen. |
| P264 |
Nach Gebrauch gründlich waschen. |
| P280 |
Schutzhandschuhe/Schutzkleidung/Augenschutz tragen. |
| P302+P352 |
BEI BERüHRUNG MIT DER HAUT: Mit viel Wasser/... (Hersteller kann, falls zweckm??ig, ein Reinigungsmittel angeben oder, wenn Wasser eindeutig ungeeignet ist, ein alternatives Mittel empfehlen) waschen. |
| P305+P351+P338 |
BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach M?glichkeit entfernen. Weiter spülen. |
| P321 |
Besondere Behandlung |
| P332+P313 |
Bei Hautreizung: ?rztlichen Rat einholen/?rztliche Hilfe hinzuziehen. |
| P362 |
Kontaminierte Kleidung ausziehen und vor erneutem Tragen waschen. |
|
Ethyl (3-chlorobenzoyl)acetate Chemische Eigenschaften,Einsatz,Produktion Methoden
Verwenden
Reagent / reactant involved in:• ;Oxidative cross-coupling via dioxygen activation with indoles1• ;Chlorination and hydrosilylation for synthesis of α-hydroxy β-amino acid derivatives2• ;Precursor for substrates for chiral Lewis base-catalyzed stereoselective reduction with trichlorosilane and water3• ;Intramolecular cyclization for synthesis of dihydrofurans4• ;Rate acceleration of Michael reactions5• ;Cerium ammonium nitrate-mediated oxidative coupling6
Synthese
141.6 g of diethyl carbonate was dissolved in 1000 mL of a 1:1 ethanol-tetrahydrofuran (THF) solution, and 12.4 g of catalyst 1 Amberlite IRA-400 was added while stirring. The mixture was then heated up to 45 °C. In a separate container, 154.5 g of m-chloroacetophenone was dissolved in 1000 mL of the above-mentioned ethanol-THF mixed solvent. The addition of m-chloroacetophenone was completed within 1 hour, and stirring was continued for 6 hours. The mixture was then filtered. The filtrate was combined and the majority of the solvent was evaporated. 1500 mL of water was added to the remaining solution while stirring. The solution was then subjected to CH2Cl2 extraction, followed by washing with saturated saline until the solution reached a neutral pH. The resulting solution was dried with anhydrous MgSO4, filtered, and the solvent was evaporated. Finally, the resulting residue was distilled under reduced pressure to obtain a colorless oily liquid known as Ethyl (3-chlorobenzoyl)acetate.
Ethyl (3-chlorobenzoyl)acetate Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
Ethyl (3-chlorobenzoyl)acetate Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.
Global( 104)Lieferanten
- ETHYL (3-CHLOROBENZOYL)ACETATE
- 3-(3-CHLORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
- Ethyl 2-(3-chlorobenzoyl)acetate
- 3-Chloro--oxobenzenepropanoic acid ethyl ester
- Ethyl (3-chlorobenzoyl)acetate >=97%
- 3-(3-chlorophenyl)-3-keto-propionic acid ethyl ester
- 3-(3-chlorophenyl)-3-oxopropanoic acid ethyl ester
- Benzenepropanoic acid, 3-chloro-β-oxo-, ethyl ester
- 2-[(3-chlorophenyl)-oxomethyl]butanoate
- Ethyl (3-chlorobenzoyl)acetate
- Ethyl 3-chloro-β-oxobenzenepropanoate
- Benzenepropanoic acid, 3-?chloro-?β-?oxo-?, ethyl ester
- ETHYL 3-(3-CHLOROPHENYL)-3-OXOPROPANOATE
- 33167-21-4
- Esters
- Organic Building Blocks
- Building Blocks
- C10 to C11
- Carbonyl Compounds
- C10 to C11
- Carbonyl Compounds
- Esters
- Building Blocks
- C10 to C11
- Carbonyl Compounds
- Chemical Synthesis
- Organic Building Blocks
