Nemorexant
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- CAS-Nr.
- 1505484-82-1
- Englisch Name:
- Nemorexant
- Synonyma:
- Daridorexant;Nemorexant;Daridorexant，Nemorexant;emorexant, Daridorexant;(S)-[2-(6-Chloro-7-methyl-2-benzimidazolyl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone;(2S)-2-(6-Chloro-7-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone;(S)-(2-(6-chloro-7-methyl-1H-benzo[d]imidazol-2-yl)-2-methylpyrrolidin-1-yl)(5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone;Methanone, [(2S)-2-(6-chloro-7-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]-
- CBNumber:
- CB04796673
- Summenformel:
- C23H23ClN6O2
- Molgewicht:
- 450.92
- MOL-Datei:
- 1505484-82-1.mol
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Nemorexant Eigenschaften
- Siedepunkt:
- 747.6±70.0 °C(Predicted)
- Dichte
- 1.42±0.1 g/cm3(Predicted)
- storage temp.
- Store at -20°C
- Löslichkeit
- DMSO : ≥ 250 mg/mL (554.42 mM)
- pka
- 10.47±0.30(Predicted)
- InChIKey
- NBGABHGMJVIVBW-QHCPKHFHSA-N
- SMILES
- C(N1CCC[C@]1(C1NC2=C(C)C(Cl)=CC=C2N=1)C)(C1=CC(OC)=CC=C1N1N=CC=N1)=O
Sicherheit
- Risiko- und Sicherheitserklärung
- Gefahreninformationscode (GHS)
| Bildanzeige (GHS) |
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| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H413 |
Kann für Wasserorganismen schädlich sein, mit langfristiger Wirkung. |
Langfristig (chronisch) gewässergefährdend |
Kategorie 4 |
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Nemorexant Chemische Eigenschaften,Einsatz,Produktion Methoden
Verwenden
[(2S)-2-(6-Chloro-7-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone,
Synthese
Actelion has applied for a patented synthesis of daridorexant. Starting from the raw amino acid 13.1, it was protected by N-Boc with a yield of 80% (Figure 3.4). Next, amide 13.4 was obtained by HATU-mediated amide coupling with o-phenylenediamine 13.3, which was used directly as a crude product in subsequent reactions. Condensation in hot acetic acid gave benzimidazole 13.5 with a yield of 81%. Removal of the N-Boc protecting group with anhydrous dioxane-hydrochloric acid gave pyrrolidine 13.6; however, the salt equivalent and yield of this step were not reported. Carboxylic acid 13.7 was prepared from the corresponding aryl iodide and 1,2,3-triazole by copper-mediated C-N bond coupling, which finally formed an amide bond with pyrrolidine 13.6 to generate daridorexant (13).
Nemorexant Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
- Nemorexant
- Methanone, [(2S)-2-(6-chloro-7-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]-
- Daridorexant
- Daridorexant，Nemorexant
- (S)-[2-(6-Chloro-7-methyl-2-benzimidazolyl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
- (S)-(2-(6-chloro-7-methyl-1H-benzo[d]imidazol-2-yl)-2-methylpyrrolidin-1-yl)(5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
- emorexant, Daridorexant
- (2S)-2-(6-Chloro-7-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
- 1505484-82-1
- APIs
- API
