Chem
J-GLOBAL ID:200907049273716423   Nikkaji number:J2.596.919G

4-[[(1α)-4β-[(1α)-4β-(1,3-Dioxolane-2-yl)cyclohexyl]cyclohexyl]methoxy]-2,3-difluorophenyldihydroxyborane

(4-{trans-4-[trans-4-(1,3-ジオキソラン-2-イル)シクロヘキシル]シクロヘキシルメトキシ}-2,3-ジフルオロフェニル)ジヒドロキシボラン
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: C22H31BF2O5
Molecular formula furigana: C22-H31-B-F2-O5
Molecular weight: 424.290
InChI: InChI=1S/C22H31BF2O5/c24-20-18(23(26)27)9-10-19(21(20)25)30-13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)22-28-11-12-29-22/h9-10,14-17,22,26-27H,1-8,11-13H2/t14-,15-,16-,17-
InChI key: IWTLFKYQPSCSFY-GARHLSDISA-N
SMILES: OB(O)c1ccc(OC[C@H]2CC[C@@H](CC2)[C@H]2CC[C@@H](CC2)C2OCCO2)c(F)c1F
Systematic name  (3):
  • 4-[[(1α)-4β-[(1α)-4β-(1,3-ジオキソラン-2-イル)シクロヘキシル]シクロヘキシル]メトキシ]-2,3-ジフルオロフェニルジヒドロキシボラン
  • (2,3-ジフルオロ-4-{[(1r,1'r,4r,4'r)-4'-(1,3-ジオキソラン-2-イル)-[1,1'-ビ(シクロヘキサン)]-4-イル]メトキシ}フェニル)ボロン酸
  • (2,3-difluoro-4-{[(1r,1'r,4r,4'r)-4'-(1,3-dioxolan-2-yl)-[1,1'-bi(cyclohexane)]-4-yl]methoxy}phenyl)boronic acid
Other name (2):
  • 4-[[(1α)-4β-[(1α)-4β-(1,3-Dioxolane-2-yl)cyclohexyl]cyclohexyl]methoxy]-2,3-difluorophenyldihydroxyborane
  • (4-{trans-4-[trans-4-(1,3-ジオキソラン-2-イル)シクロヘキシル]シクロヘキシルメトキシ}-2,3-ジフルオロフェニル)ジヒドロキシボラン
Regulation number (1):
  • 8-(5)-375
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