Cas no 80373-29-1 ((-)-2-(2-(1-(3R,4S,8R,9S)-quinidinoxynaphthyl))-4,4-dimethyl-Δ2-oxazoline)

(-)-2-(2-(1-(3R,4S,8R,9S)-quinidinoxynaphthyl))-4,4-dimethyl-Δ2-oxazoline structure
80373-29-1 structure
Product Name:(-)-2-(2-(1-(3R,4S,8R,9S)-quinidinoxynaphthyl))-4,4-dimethyl-Δ2-oxazoline
CAS No:80373-29-1
MF:C35H37N3O3
MW:547.686589002609
CID:3036829
Update Time:2025-03-17

(-)-2-(2-(1-(3R,4S,8R,9S)-quinidinoxynaphthyl))-4,4-dimethyl-Δ2-oxazoline Chemical and Physical Properties

Names and Identifiers

    • (-)-2-(2-(1-(3R,4S,8R,9S)-quinidinoxynaphthyl))-4,4-dimethyl-Δ2-oxazoline
    • (-)-2-[2-(1-(3R,4S,8R,9S)-quinidinoxynaphthyl)]-4,4-dimethyl-Δ2-oxazoline
    • Cinchonan, 9-[[2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-naphthalenyl]oxy]-6'-methoxy-, (9S)- (9CI)
    • Inchi: 1S/C35H37N3O3/c1-5-22-20-38-17-15-24(22)18-31(38)33(27-14-16-36-30-13-11-25(39-4)19-29(27)30)41-32-26-9-7-6-8-23(26)10-12-28(32)34-37-35(2,3)21-40-34/h5-14,16,19,22,24,31,33H,1,15,17-18,20-21H2,2-4H3/t22-,24-,31+,33-/m0/s1
    • InChI Key: CSGBJOMUPZXAPQ-YMNMJGKGSA-N
    • SMILES: [C@@H](OC1=C2C(C=CC=C2)=CC=C1C1=NC(C)(C)CO1)([C@@H]1[N@]2CC[C@H]([C@H](C2)C=C)C1)C1=CC=NC2=CC=C(OC)C=C12

Computed Properties

  • Exact Mass: 547.28300

Experimental Properties

  • Density: 1.25±0.1 g/cm3(Predicted)
  • Boiling Point: 710.6±60.0 °C(Predicted)
  • PSA: 56.18000
  • LogP: 6.34200
  • pka: 9.02±0.70(Predicted)
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