3-(4-Chlorophenyl)-3-((1H-Imidazol-1-Yl)Methyl)-2-Methyl-5-(((4-Methylphenyl)Thio)Methyl) Isoxazolidine
[CAS# 113944-05-1]

Identification

• Name: 3-(4-Chlorophenyl)-3-((1H-Imidazol-1-Yl)Methyl)-2-Methyl-5-(((4-Methylphenyl)Thio)Methyl) Isoxazolidine
• Synonyms: (3R,5R)-3-(4-Chlorophenyl)-3-(Imidazol-1-Ylmethyl)-2-Methyl-5-[(4-Methylphenyl)Sulfanylmethyl]Isoxazolidine; (3R,5R)-3-(4-Chlorophenyl)-3-(1-Imidazolylmethyl)-2-Methyl-5-[[(4-Methylphenyl)Thio]Methyl]Isoxazolidine; (3R,5R)-3-(4-Chlorophenyl)-3-(Imidazol-1-Ylmethyl)-2-Methyl-5-[[(4-Methylphenyl)Thio]Methyl]Isoxazolidine
• Molecular Formula: C₂₂H₂₄ClN₃OS
• Molecular Weight: 413.96
• CAS Registry Number: 113944-05-1
• SMILES: [C@]1(N(O[C@H](C1)CSC2=CC=C(C=C2)C)C)(C[N]3C=NC=C3)C4=CC=C(C=C4)Cl
• InChI: 1S/C22H24ClN3OS/c1-17-3-9-21(10-4-17)28-14-20-13-22(25(2)27-20,15-26-12-11-24-16-26)18-5-7-19(23)8-6-18/h3-12,16,20H,13-15H2,1-2H3/t20-,22+/m1/s1
• InChIKey: CZCOAEUOUOJROA-IRLDBZIGSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 578.127°C at 760 mmHg (Cal.)
• Flash point: 303.441°C (Cal.)