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102089-75-8

102089-75-8 Structure

102089-75-8 Structure
IdentificationBack Directory
[Name]

N-[(1R)-2-[(Methylsulfonyl)oxy]-1-phenylethyl]carbamic acid 1,1-dimethylethyl ester
[CAS]

102089-75-8
[Synonyms]

Elagolix Impurity 11
D-BOC-phenylglycinol mesylate
BOC-D-Phenylglycinol mesylate
tert-Butyl (R)-3-[(Methylsulfonyl)oxy]-2-phenylpropanoate
(R)-2-((tert-butoxycarbonyl)amino)-2-phenylethyl methanesulfonate
1,1-Dimethylethyl (R)-[2-[(methylsulfonyl)oxy]-1-phenylethyl]Carbamate
[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl] methanesulfonate
N-[(1R)-2-[(Methylsulfonyl)oxy]-1-phenylethyl]carbamic acid 1,1-dimethylethyl ester
(-)-(1R)-1-[(1',1'-dimethylethoxycarbonyl)amino]-2-(methylsulfonyl)oxy-1-phenylethane
Carbamic acid, [2-[(methylsulfonyl)oxy]-1-phenylethyl]-, 1,1-dimethylethylester, (R)-
Carbamic acid, N-[(1R)-2-[(methylsulfonyl)oxy]-1-phenylethyl]-, 1,1-dimethylethyl ester
[Molecular Formula]

C14H21NO5S
[MDL Number]

MFCD22571103
[MOL File]

102089-75-8.mol
[Molecular Weight]

315.39
Chemical PropertiesBack Directory
[Melting point ]

112-114℃
[Boiling point ]

497.2±45.0 °C(Predicted)
[density ]

1.204±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly, Sonicated), Dichloromethane; Ethyl Acetate
[form ]

Solid
[pka]

11.11±0.46(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C14H21NO5S/c1-14(2,3)20-13(16)15-12(10-19-21(4,17)18)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,15,16)/t12-/m0/s1
[InChIKey]

QMCZMSKKAHWYBJ-LBPRGKRZSA-N
[SMILES]

C(OC(C)(C)C)(=O)N[C@H](C1=CC=CC=C1)COS(C)(=O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

1,1-Dimethylethyl (R)-[2-[(methylsulfonyl)oxy]-1-phenylethyl]carbamate is a proposed intermediate in the synthesis of Elagolix-d6 Sodium Salt (E501016), which is the labelled analogue of Elagolix Sodium Salt (E501018), a novel uracil phenylethylamine that acts as potent human gonadotropin-?releasing hormone receptor (hGnRH-?R) antagonist.
Spectrum DetailBack Directory
[Spectrum Detail]

N-[(1R)-2-[(Methylsulfonyl)oxy]-1-phenylethyl]carbamic acid 1,1-dimethylethyl ester(102089-75-8)1HNMR
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