[3,3-Dioxo-14-tri(propan-2-yl)silyl-3lambda6,7,10,13,17-pentathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-tri(propan-2-yl)silane | 910044-70-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并噻吩类
• 英文名称: [3,3-Dioxo-14-tri(propan-2-yl)silyl-3lambda6,7,10,13,17-pentathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-tri(propan-2-yl)silane
• 英文别名: [3,3-dioxo-14-tri(propan-2-yl)silyl-3λ6,7,10,13,17-pentathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-tri(propan-2-yl)silane
• CAS: 910044-70-1
• 化学式: C₃₀H₄₄O₂S₅Si₂
• 分子量: 653.179
• InChiKey: RLVFDGHLXKWUQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.82
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  156
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [3,3-Dioxo-14-tri(propan-2-yl)silyl-3lambda6,7,10,13,17-pentathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-tri(propan-2-yl)silane 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以85%的产率得到3lambda6,7,10,13,17-Pentathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene 3,3-dioxide
  参考文献：
  名称：

  Electronic Modulation of Fused Oligothiophenes by Chemical Oxidation

  摘要：

  The reaction of pentathienoacene (f-5T) with mCPBA produced a series of oxidized derivatives containing one or two thiophene-S,S-dioxide rings. The regioselectivity of the oxidation reflects the aromaticity of each thiophene ring in the f-5T skeleton, and the extent of the oxidation significantly affects the fluorescence and redox properties.

  DOI：

  10.1021/ol801136k
• 作为产物：
  描述：

  2,6-bis(triisopropylsilanyl)pentathienoacene 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以45%的产率得到[3,3-Dioxo-14-tri(propan-2-yl)silyl-3lambda6,7,10,13,17-pentathiapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-tri(propan-2-yl)silane
  参考文献：
  名称：

  Electronic Modulation of Fused Oligothiophenes by Chemical Oxidation

  摘要：

  The reaction of pentathienoacene (f-5T) with mCPBA produced a series of oxidized derivatives containing one or two thiophene-S,S-dioxide rings. The regioselectivity of the oxidation reflects the aromaticity of each thiophene ring in the f-5T skeleton, and the extent of the oxidation significantly affects the fluorescence and redox properties.

  DOI：

  10.1021/ol801136k

文献信息

• Electronic Modulation of Fused Oligothiophenes by Chemical Oxidation
  作者：Yoshitake Suzuki、Toshihiro Okamoto、Atsushi Wakamiya、Shigehiro Yamaguchi

  DOI：10.1021/ol801136k

  日期：2008.8.21

  The reaction of pentathienoacene (f-5T) with mCPBA produced a series of oxidized derivatives containing one or two thiophene-S,S-dioxide rings. The regioselectivity of the oxidation reflects the aromaticity of each thiophene ring in the f-5T skeleton, and the extent of the oxidation significantly affects the fluorescence and redox properties.