tert-Butyl-(2-tert-butyl-5-methyl-phenoxy)-diphenyl-silane | 910131-83-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-Butyl-(2-tert-butyl-5-methyl-phenoxy)-diphenyl-silane
• CAS: 910131-83-8
• 化学式: C₂₇H₃₄OSi
• 分子量: 402.652
• InChiKey: VSIILODPGWBFIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.23
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  tert-Butyl-(2-tert-butyl-5-methyl-phenoxy)-diphenyl-silane 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 、 乌洛托品 、 盐酸 作用下， 以 四氯化碳 、 甲醇 、 水 为溶剂， 反应 5.75h， 以47%的产率得到4-tert-Butyl-3-(tert-butyl-diphenyl-silanyloxy)-benzaldehyde
  参考文献：
  名称：

  Sensing of Chiral Fullerenes by a Cyclic Host with an Asymmetrically Distorted π-Electronic Component

  摘要：

  Upon inclusion complexation with a racemic mixture of chiral fullerene C76 ((+/-)-C76), a novel cyclic host (1Rh) composed of a chiral N-methylporphyrin (PNMe) and a methylrhodium porphyrin (PRh) exhibited at 20 degrees C a 1H NMR spectral profile with diastereoisomerically split signals due to the NH group of PNMe. In contrast, because of a faster guest exchange dynamics, metal-free reference 12H, under identical conditions, did not show any signature of such diastereoisomeric splitting. Owing to the excellent resolution (15.6 Hz) of the split NH signals, the complexation with 1Rh allowed for the accurate determination of the optical purity of C76. On the basis of the 1H NMR spectral profiles of 1Rh in toluene-d8 at 20 degrees C in the presence of enantiomer mixtures of C76 of different optical purities, an absolute Deltaepsilon value of 58.5 M-1 cm-1 at 330 nm was obtained for enantiomerically pure C76.

  DOI：

  10.1021/ja063828f
• 作为产物：
  描述：

  6-叔丁基间甲酚 、 叔丁基二苯基氯硅烷 在 咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 120.0h， 以70%的产率得到tert-Butyl-(2-tert-butyl-5-methyl-phenoxy)-diphenyl-silane
  参考文献：
  名称：

  Sensing of Chiral Fullerenes by a Cyclic Host with an Asymmetrically Distorted π-Electronic Component

  摘要：

  Upon inclusion complexation with a racemic mixture of chiral fullerene C76 ((+/-)-C76), a novel cyclic host (1Rh) composed of a chiral N-methylporphyrin (PNMe) and a methylrhodium porphyrin (PRh) exhibited at 20 degrees C a 1H NMR spectral profile with diastereoisomerically split signals due to the NH group of PNMe. In contrast, because of a faster guest exchange dynamics, metal-free reference 12H, under identical conditions, did not show any signature of such diastereoisomeric splitting. Owing to the excellent resolution (15.6 Hz) of the split NH signals, the complexation with 1Rh allowed for the accurate determination of the optical purity of C76. On the basis of the 1H NMR spectral profiles of 1Rh in toluene-d8 at 20 degrees C in the presence of enantiomer mixtures of C76 of different optical purities, an absolute Deltaepsilon value of 58.5 M-1 cm-1 at 330 nm was obtained for enantiomerically pure C76.

  DOI：

  10.1021/ja063828f