Chem
J-GLOBAL ID:200907018008561997   Nikkaji number:J2.153.659H

(4S)-2α-(Pyrrolidinium-1-yl)-2-phenyl-3-tosyl-4β-benzyl-5-oxo-2-bora(V)oxazolidine-2-ide

(4S)-2α-(ピロリジニウム-1-イル)-2-フェニル-3-トシル-4β-ベンジル-5-オキソ-2-ボラ(V)オキサゾリジン-2-イド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C26H29[B-]N[N+]O4S
Molecular formula furigana: C26-H29-B-N2-O4-S
Molecular weight: 476.400
InChI: InChI=1S/C26H29BN2O4S/c1-21-14-16-24(17-15-21)34(31,32)29-25(20-22-10-4-2-5-11-22)26(30)33-27(29,28-18-8-9-19-28)23-12-6-3-7-13-23/h2-7,10-17,25,28H,8-9,18-20H2,1H3/t25-,27?/m0/s1
InChI key: KBOIWGNZAMHXAJ-PVCWFJFTSA-N
SMILES: Cc1ccc(cc1)S(=O)(=O)N1[C@@H](Cc2ccccc2)C(=O)O[B-]1([NH+]1CCCC1)c1ccccc1
Systematic name  (4):
  • (4S)-2α-(ピロリジニウム-1-イル)-2-フェニル-3-トシル-4β-ベンジル-5-オキソ-2-ボラ(V)オキサゾリジン-2-イド
  • (4S)-2β-(ピロリジニウム-1-イル)-2-フェニル-3-トシル-4β-ベンジル-5-オキソ-2-ボラ(V)オキサゾリジン-2-イド
  • (4S)-4-ベンジル-3-(4-メチルベンゼンスルホニル)-5-オキソ-2-フェニル-2-(ピロリジン-1-イウム-1-イル)-1,3,2-オキサザボロリジン-2-ウイド
  • (4S)-4-benzyl-3-(4-methylbenzenesulfonyl)-5-oxo-2-phenyl-2-(pyrrolidin-1-ium-1-yl)-1,3,2-oxazaborolidin-2-uide
Other name (2):
  • (4S)-2α-(Pyrrolidinium-1-yl)-2-phenyl-3-tosyl-4β-benzyl-5-oxo-2-bora(V)oxazolidine-2-ide
  • (4S)-2β-(Pyrrolidinium-1-yl)-2-phenyl-3-tosyl-4β-benzyl-5-oxo-2-bora(V)oxazolidine-2-ide
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