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202189-76-2

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202189-76-2 Structure

202189-76-2 Structure
IdentificationBack Directory
[Name]

Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)
[CAS]

202189-76-2
[Synonyms]

Bilastine impurity C
2-[4-[1-(4,4-Dimethyl-5H-Oxazol-2-Yl)-1- Methyl-Ethyl]Phenyl
4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate
2-[4-[1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-ethyl]phenyl]ethyl 4-methylbenzenesulfonate
4 - (2 - (4,4-dimethyl-4,5-dihydroxazol-2-yl) propyl-2-yl) phenylethyl 4-methylbenzene sulfonate
Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 1-(4-methylbenzenesulfonate)
Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)
[EINECS(EC#)]

606-467-2
[Molecular Formula]

C23H29NO4S
[MDL Number]

MFCD11046409
[MOL File]

202189-76-2.mol
[Molecular Weight]

415.55
Chemical PropertiesBack Directory
[Boiling point ]

545.1±45.0 °C(Predicted)
[density ]

1.14±0.1 g/cm3(Predicted)
[vapor pressure ]

0Pa at 25℃
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

soluble in Dichloromethane;
[pka]

5.78±0.70(Predicted)
[Appearance]

White to off-white Solid
[Water Solubility ]

5.717μg/L at 25℃
[InChI]

InChI=1S/C23H29NO4S/c1-17-6-12-20(13-7-17)29(25,26)28-15-14-18-8-10-19(11-9-18)23(4,5)21-24-22(2,3)16-27-21/h6-13H,14-16H2,1-5H3
[InChIKey]

BGUOPDZOVDIWLE-UHFFFAOYSA-N
[SMILES]

C(C1C=CC(CCOS(C2C=CC(C)=CC=2)(=O)=O)=CC=1)(C1OCC(C)(C)N=1)(C)C
[LogP]

6.6
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

4-[1-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-benzeneethanol 1-(4-Methylbenzenesulfonate)-d6 is an intermediate used in the synthesis of Bilastine-d6 (B385002), which is labelled Bilastine. It is a novel, nonsedating H1-antihistamine developed for symptomatic treatment of allergic rhinitis and chronic idiopathic urticaria.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate(202189-76-2)1HNMR
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