Chem
J-GLOBAL ID:200907001672113039   Nikkaji number:J2.598.789F

(4S)-2-(2,4-Cyclopentadiene-1-yl)-4-[1-[2,4,8,10-tetratert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yloxy]-1-methylethyl]-2-oxazoline

(4S)-2-(2,4-シクロペンタジエン-1-イル)-4-[1-[2,4,8,10-テトラtert-ブチルジベンゾ[d,f][1,3,2]ジオキサホスフェピン-6-イルオキシ]-1-メチルエチル]-2-オキサゾリン
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: C39H54NO4P
Molecular formula furigana: C39-H54-N-O4-P
Molecular weight: 631.838
InChI: InChI=1S/C39H54NO4P/c1-35(2,3)25-19-27-28-20-26(36(4,5)6)22-30(38(10,11)12)33(28)43-45(42-32(27)29(21-25)37(7,8)9)44-39(13,14)31-23-41-34(40-31)24-17-15-16-18-24/h15-22,24,31H,23H2,1-14H3/t31-/m0/s1
InChI key: HNNSCVYCMDZWAK-HKBQPEDESA-N
SMILES: CC(C)(Op1oc2c(cc(cc2C(C)(C)C)C(C)(C)C)c2cc(cc(c2o1)C(C)(C)C)C(C)(C)C)[C@@H]1COC(=N1)C1C=CC=C1
Systematic name  (3):
  • (4S)-2-(2,4-シクロペンタジエン-1-イル)-4-[1-[2,4,8,10-テトラtert-ブチルジベンゾ[d,f][1,3,2]ジオキサホスフェピン-6-イルオキシ]-1-メチルエチル]-2-オキサゾリン
  • (4S)-2-(シクロペンタ-2,4-ジエン-1-イル)-4-[2-({4,6,12,14-テトラ-tert-ブチル-8,10-ジオキサ-9-ホスファトリシクロ[9.4.0.02,7]ペンタデカ-1(11),2,4,6,12,14-ヘキサエン-9-イル}オキシ)プロパン-2-イル]-4,5-ジヒドロ-1,3-オキサゾール
  • (4S)-2-(cyclopenta-2,4-dien-1-yl)-4-[2-({4,6,12,14-tetra-tert-butyl-8,10-dioxa-9-phosphatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-9-yl}oxy)propan-2-yl]-4,5-dihydro-1,3-oxazole
Other name (1):
  • (4S)-2-(2,4-Cyclopentadiene-1-yl)-4-[1-[2,4,8,10-tetratert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-yloxy]-1-methylethyl]-2-oxazoline
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