(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
- CAS NO.：42399-49-5
- Empirical Formula: C16H15NO3S
- Molecular Weight: 301.36
- MDL number: MFCD01321316
- EINECS: 255-799-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-28 00:27:44
What is (2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one?
Chemical properties
white to slightly beige powder
The Uses of (2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
A key intermediate for Diltiazem (D460620) synthesis.
Properties of (2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
| Melting point: | 203-206 °C(lit.) |
| Boiling point: | 545.4±50.0 °C(Predicted) |
| alpha | 112 º (c=0.5 in MeOH) |
| 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) |
| form | Solid |
| pka | 12.37±0.40(Predicted) |
| color | Off-White |
| CAS DataBase Reference | 42399-49-5(CAS DataBase Reference) |
Safety information for (2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for (2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
| InChIKey | LHBHZALHFIQJGJ-CABCVRRESA-N |
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![(2S,3S)-3-(Acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one 1-oxide](https://img.chemicalbook.in/CAS/20150408/GIF/370094-12-5.gif)
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