(2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one , 99+% , 42399-49-5

CAS NO.：42399-49-5

Empirical Formula: C16H15NO3S

Molecular Weight: 301.36

MDL number: MFCD01321316

EINECS: 255-799-0

PRODUCT Properties

• Melting point: 203-206 °C(lit.)
• alpha: 112 º (c=0.5 in MeOH)
• Boiling point: 545.4±50.0 °C(Predicted)
• Density: 1.2458 (rough estimate)
• refractive index: 114 ° (C=0.5, MeOH)
• storage temp.: Sealed in dry,2-8°C
• solubility: DMSO (Slightly), Methanol (Slightly, Sonicated)
• pka: 12.37±0.40(Predicted)
• form: Solid
• color: Off-White
• InChI: InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1
• InChIKey: LHBHZALHFIQJGJ-CABCVRRESA-N
• SMILES: S1C2=CC=CC=C2NC(=O)[C@H](O)[C@@H]1C1=CC=C(OC)C=C1
• CAS DataBase Reference: 42399-49-5(CAS DataBase Reference)

Description and Uses

A key intermediate for Diltiazem (D460620) synthesis.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HS Code: 29349990