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1620056-47-4

1620056-47-4 Structure

1620056-47-4 Structure
IdentificationBack Directory
[Name]

Carbamic acid, N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-, 1,1-dimethylethyl ester
[CAS]

1620056-47-4
[Synonyms]

tert-Butyl (S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate
tert-butyl N-[(1S)-1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]carbamate
Carbamic acid, N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-, 1,1-dimethylethyl ester
[Molecular Formula]

C18H18Br2F2N2O2
[MDL Number]

MFCD34471196
[MOL File]

1620056-47-4.mol
[Molecular Weight]

492.15
Chemical PropertiesBack Directory
[Boiling point ]

499.1±45.0 °C(Predicted)
[density ]

1.574±0.06 g/cm3(Predicted)
[pka]

10.42±0.46(Predicted)
[InChI]

InChI=1S/C18H18Br2F2N2O2/c1-18(2,3)26-17(25)23-14(16-13(19)4-5-15(20)24-16)8-10-6-11(21)9-12(22)7-10/h4-7,9,14H,8H2,1-3H3,(H,23,25)/t14-/m0/s1
[InChIKey]

XKLGEKSJSJYONN-AWEZNQCLSA-N
[SMILES]

C(OC(C)(C)C)(=O)N[C@H](C1=NC(Br)=CC=C1Br)CC1=CC(F)=CC(F)=C1
Hazard InformationBack Directory
[Description]

Tert-Butyl (S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate is a solid, it can be used to synthesize lenacapavir sodium.
[Uses]

tert-Butyl (S)-(1-(3,6-dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate is a pharmaceutical intermediate compound that can be used to prepare capsid inhibitors for the treatment of HIV.
Spectrum DetailBack Directory
[Spectrum Detail]

Carbamic acid, N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-, 1,1-dimethylethyl ester(1620056-47-4)1HNMR
Carbamic acid, N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-, 1,1-dimethylethyl ester(1620056-47-4)1HNMR
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