HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzoic acid, 4-((5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl)-, ethyl ester
ethyl 4-[(5,5-diMethyl-8-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)ethynyl]benzoate · ethyl 4-[(5,6,7,8-tetrahydro-5,5-diMethyl-8-oxo-2-naphthalenyl)ethynyl]benzoate · Ethyl 4-[2-(5,6,7,8-Tetrahydro-5,5-diMethyl-8-oxo-2-naphthalenyl)ethynyl]benzoate · 4-[2-(5,6,7,8-Tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoic Acid Ethyl Ester · Benzoic acid, 4-[2-(5,6,7,8-tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]-, ethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 166978-49-0 |
|---|---|
| Summenformel | C23H22O3 |
| Durchschnittliche Molmasse | 346,4 g/mol |
| Monoisotopische Masse | 346,15689456 g/mol |
| SMILES | CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(=O)CCC3(C)C)cc1 |
| InChIKey | HKLPOHJGESDTSC-UHFFFAOYSA-N |
| PubChem CID | 3025901 |
| DTXSID | DTXSID40168214 |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 597 |
| Schmelzpunkt | >147oC (dec.) |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Pale Brown to Brown |
Anwendungen & Verwendung
Verwenden
Intermediate in the production of high affinity retinoic acid receptor (RAR) antagonists.