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42399-49-5

42399-49-5 Structure

42399-49-5 Structure
IdentificationMore
[Name]

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

42399-49-5
[Synonyms]

(2S-CIS)-(+)-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
HYDROXY LACTAM
5-benzothiazepin-4(5h)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-(2s-c
CIS-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
(2S-CIS)-(+)-DIHYDRO-3-OH-2-(4-MEO-PH)-1 ,5-BENZOTHIAZEPIN-4(5H)-ONE, 98%
(2S,3S)-(+)-3-Hydroxy-2-(4'-Methoxyphenyl)-2.3-Dihydro-1,5-Benzothiazepin-4(5H)-One[Cis-(+)-HydroxyLactam]
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2S-cis)
(2S)-cis-(+)-2, 3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one (cis-Lactam)
(2S-CIS)-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-
(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
(2S)-2,3-Dihydro-3β-hydroxy-2β-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
(2S)-2β-(4-Methoxyphenyl)-3β-hydroxy-2,3,4,5-tetrahydro-1,5-benzothiazepine-4-one
(2S,3S)-DHMB
[EINECS(EC#)]

255-799-0
[Molecular Formula]

C16H15NO3S
[MDL Number]

MFCD01321316
[Molecular Weight]

301.36
[MOL File]

42399-49-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to slightly beige powder
[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)
[form ]

Solid
[pka]

12.37±0.40(Predicted)
[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)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[REACH Registrations]

Active
[HS Code ]

29349990
Hazard InformationBack Directory
[Chemical Properties]

white to slightly beige powder
[Uses]

A key intermediate for Diltiazem (D460620) synthesis.
Spectrum DetailBack Directory
[Spectrum Detail]

(2S-cis)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one(42399-49-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

42399-49-5(sigmaaldrich)
[TCI AMERICA]

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one,>96.0%(LC)(N)(42399-49-5)
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