16,16-dichloro-6,13-dihydro-15-oxo-6,13-epithio-methanopentacene | 1248544-44-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 16,16-dichloro-6,13-dihydro-15-oxo-6,13-epithio-methanopentacene
• 英文别名: 24,24-Dichloro-23lambda4-thiahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaene 23-oxide；24,24-dichloro-23λ4-thiahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2,4,6,8,10,13,15,17,19,21-decaene 23-oxide
• CAS: 1248544-44-6
• 化学式: C₂₃H₁₄Cl₂OS
• 分子量: 409.336
• InChiKey: NSMGWZZCRHIHDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  16,16-dichloro-6,13-dihydro-6,13-epithiomethanopentacene 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以78%的产率得到16,16-dichloro-6,13-dihydro-15-oxo-6,13-epithio-methanopentacene
  参考文献：
  名称：

  Pentacene precursors for solution-processed OFETs

  摘要：

  15-Acetoxy- and 15-hydroxy-6,13-dihydro-6,13-ethanopentacenes sublimed over 300 degrees C and no pentacene was formed below the temperature. The precursors bearing chlorinated epithiomethano bridges suffered complicated decomposition to give oligomeric pentacene derivatives. The precursor bearing an epithio-oxomethano bridge underwent smooth and clean conversion to pentacene by heat or light. An organic field-effect transistor fabricated by the spin-coating method of the precursor followed by light irradiation at 120 degrees C showed a good FET performance of mu=2.5 x 10(-2) cm(2) V-1 s(-1) and on/off ratio=3.8 x 10(4). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.051

文献信息

• Pentacene precursors for solution-processed OFETs
  作者：Hiroki Uoyama、Hiroko Yamada、Tetsuo Okujima、Hidemitsu Uno

  DOI：10.1016/j.tet.2010.06.051

  日期：2010.8

  15-Acetoxy- and 15-hydroxy-6,13-dihydro-6,13-ethanopentacenes sublimed over 300 degrees C and no pentacene was formed below the temperature. The precursors bearing chlorinated epithiomethano bridges suffered complicated decomposition to give oligomeric pentacene derivatives. The precursor bearing an epithio-oxomethano bridge underwent smooth and clean conversion to pentacene by heat or light. An organic field-effect transistor fabricated by the spin-coating method of the precursor followed by light irradiation at 120 degrees C showed a good FET performance of mu=2.5 x 10(-2) cm(2) V-1 s(-1) and on/off ratio=3.8 x 10(4). (C) 2010 Elsevier Ltd. All rights reserved.