Chem
J-GLOBAL ID：200907081656522496   Nikkaji number：J1.978.280H

(3R,4S)-1-Phenyl-3,4-epoxy-3-(trifluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1-octyne

(3R,4S)-1-フェニル-3,4-エポキシ-3-(トリフルオロメチル)-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1-オクチン
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： C21H26BF3O3
Molecular formula furigana： C21-H26-B-F3-O3
Molecular weight： 394.240
InChI： InChI=1S/C21H26BF3O3/c1-6-7-14-20(22-27-17(2,3)18(4,5)28-22)19(26-20,21(23,24)25)15-13-16-11-9-8-10-12-16/h8-12H,6-7,14H2,1-5H3/t19-,20+/m1/s1
InChI key： YRVXQMUOJJEBSC-UXHICEINSA-N
SMILES： CCCC[C@@]1(O[C@@]1(C#Cc1ccccc1)C(F)(F)F)B1OC(C)(C)C(C)(C)O1
Systematic name  (3)：
  • (3R,4S)-1-フェニル-3,4-エポキシ-3-(トリフルオロメチル)-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-1-オクチン
  • 2-[(2S,3R)-2-ブチル-3-(2-フェニルエチニル)-3-(トリフルオロメチル)オキシラン-2-イル]-4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン
  • 2-[(2S,3R)-2-butyl-3-(2-phenylethynyl)-3-(trifluoromethyl)oxiran-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Other name (1)：
  • (3R,4S)-1-Phenyl-3,4-epoxy-3-(trifluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1-octyne
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