Nemorexant CAS 1505484-82-1

Introduction：Basic information about Nemorexant CAS 1505484-82-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Nemorexant Basic information

• Product Name: Nemorexant
• Synonyms: 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
• CAS: 1505484-82-1
• MF: C23H23ClN6O2
• MW: 450.92
• Product Categories: APIs;API
• Mol File: 1505484-82-1.mol

Nemorexant Chemical Properties

• Boiling point: 747.6±70.0 °C(Predicted)
• density: 1.42±0.1 g/cm3(Predicted)
• storage temp.: Store at -20°C
• solubility: 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

Nemorexant Usage And Synthesis

Uses

[(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,

Synthesis

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).