Basic information Safety Supplier Related

(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

Basic information Safety Supplier Related

(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one Basic information

Product Name:
(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
Synonyms:
  • HYDROXY LACTAM
  • (2S-CIS)-(+)-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
  • (2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one ,99%
  • DiltiazeM IMpurity E
  • 3-hydroxy-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
  • (2S,3S)-3-Hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one
  • (2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
  • Des[3-Acetyl-5-(2-dimethylamino)ethyl] Diltiazem
CAS:
42399-49-5
MF:
C16H15NO3S
MW:
301.36
EINECS:
255-799-0
Product Categories:
  • Pharmaceutical Intermediates
  • Chiral Building Blocks
  • Heterocyclic Building Blocks
  • Others
  • Heterocycles series
  • INTERMEDIATESOFDILTIAZEM
  • API intermediates
  • Aromatics
  • Chiral Reagents
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • Sulfur & Selenium Compounds
Mol File:
42399-49-5.mol
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(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one Chemical 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)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
3
HS Code 
29349990

MSDS

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(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one Usage And Synthesis

Chemical Properties

white to slightly beige powder

Uses

A key intermediate for Diltiazem (D460620) synthesis.

(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-oneSupplier

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