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(S)-Tetrahydropyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester
(S)-1,2-bis(tert-butoxycarbonyl)hexahydropyridazine-3-carboxylic acid · (3S)-1,2-bis(tert-butoxycarbonyl)hexahydropyridazine-3-carboxylic acid · 1,2,3-PYRIDAZINETRICARBOXYLIC ACID · (3S)-1,2-bis(Boc)-1,2-diazinane-3-carboxylic acid · (S)-N1,N2-Diboc-hexahydropyridazine-3-carboxylic acid · (S)-1,2-Bis(Boc)-hexahydropyridazine-3-carboxylic Acid · N1,N2-Di-Boc-(S)-hexahydropyridazine-3-carboxylic acid · (3S)-1,2-bis(tert-butoxycarbonyl)-1,2-diazinane-3-carboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 156699-39-7 |
|---|---|
| Summenformel | C15H26N2O6 |
| Durchschnittliche Molmasse | 330,38 g/mol |
| Monoisotopische Masse | 330,17908655 g/mol |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C |
| InChIKey | MLXHSDCSBUGOLZ-JTQLQIEISA-N |
| PubChem CID | 10871237 |
| DTXSID | DTXSID70446618 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 96,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 477 |
| Siedepunkt | 422.0±55.0 °C(Predicted) |
| Dichte | 1.200±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 3.74±0.20(Predicted) |
| InChI | InChI=1/C15H26N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17(16)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/s3 |
| InChIKey | MLXHSDCSBUGOLZ-JQHDBZEONA-N |
| SMILES | [C@H]1(C(O)=O)N(C(OC(C)(C)C)=O)N(C(OC(C)(C)C)=O)CCC1 |&1:0,r| |
Sicherheit & Vorschriften
| Alarmwort | Warnung |
|---|---|
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
(S)-Tetrahydropyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester is a pharmaceutical intermediate heterocyclic compound that can be used in the synthesis of RAS inhibitors.