benzoisobenzofuran | 232-74-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: benzoisobenzofuran
• 英文别名: naphtho<1,2-c>furan；Naphtho [1,2-c]furan；benzo[e][2]benzofuran
• CAS: 232-74-6
• 化学式: C₁₂H₈O
• 分子量: 168.195
• InChiKey: YRCZNULUUDJVST-UHFFFAOYSA-N

物化性质

• 沸点：
  316.1±11.0 °C(Predicted)
• 密度：
  1Å+-.0.06 g/cm3(Predicted)
• 熔点：
  62-64 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (10bS,10cR)-10b,10c-dimethyl-9,10-didehydropyrene 、 benzoisobenzofuran 生成 (27R,28S)-27,28-dimethyl-29-oxaoctacyclo[18.6.2.13,14.02,15.04,13.07,12.017,27.024,28]nonacosa-1,4(13),5,7,9,11,15,17,19,21,23,25-dodecaene
  参考文献：
  名称：

  MITCHELL, REGINALD H.;ZHOU, PENGZU, TETRAHEDRON LETT., 31,(1990) N7, C. 5277-5280

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-二氢-1,4-环氧菲 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 520.0 ℃ 、101.33 kPa 条件下， 生成 benzoisobenzofuran
  参考文献：
  名称：

  Moursounidis, John; Wege, Dieter, Australian Journal of Chemistry, 1988, vol. 41, # 2, p. 235 - 249

  摘要：

  DOI：

文献信息

• [EN] ELECTROACTIVE COMPOUNDS<br/>[FR] COMPOSÉS ÉLECTROACTIFS
  申请人：DU PONT

  公开号：WO2017210072A1

  公开（公告）日：2017-12-07

  There is provided a compound having Formula (I): (I). In the formula: NpHet is a naphthalene core having at least one fused 5-membered heteroaromatic ring, where the heteroaromatic ring has one heteroatom which is O, S, Se, or Te; Ar1-Ar6 are the same or different and are a hydrocarbon aryl group, a heteroaryl group, or a deuterated analog thereof; a and b are the same or different and are 0 or 1; m and n are the same or different and are 0 or 1; with the proviso that a, b, m, and n are not all 0.

  提供一种具有化学式(I)的化合物：(I)。在该式中：NpHet是至少具有一个融合的5元杂芳环的萘核，其中杂芳环具有一个杂原子，该杂原子是O、S、Se或Te；Ar1-Ar6相同或不同，是一个碳氢芳基团、一个杂芳基团或其氘代物；a和b相同或不同，为0或1；m和n相同或不同，为0或1；但要求a、b、m和n不全为0。
• An Experimental Estimation of Aromaticity Relative to That of Benzene. The Synthesis and NMR Properties of a Series of Highly Annelated Dimethyldihydropyrenes: Bridged Benzannulenes
  作者：Reginald H. Mitchell、Vivekanantan S. Iyer、Nasr Khalifa、Ramanathan Mahadevan、Santhanagopalan Venugopalan、Sirimevan Ananda Weerawarna、Pengzu Zhou

  DOI：10.1021/ja00110a008

  日期：1995.2

  The synthesis of 13 trans-dimethyldihydropyrenes (bridged [14]annulenes) fused to one or more benzene, naphthalene, phenanthrene, phenalene, or quinoxaline rings and 6 cis-dihydropyrene derivatives from benzenoid precursors using either a thiacyclophane route or an electrocyclic addition of a furan to an annulyne followed by deoxygenation is reported. Their H-1 NMR spectra are studied in detail to obtain correlations between (3)J(H,H) coupling constants and the internal methyl proton chemical shifts and also between the latter and the more distant external annulene ring proton shifts. These linear correlations are then used to obtain a relationship between the relative aromaticity of benzene and the fused ring in question, such that the aromaticity of the fused ring can be estimated relative to that of a benzene ring simply from a measurement of chemical shift in the fused annulene.
• Benzo[e]isobenzofuran. Formation and reactions of the parent and alkoxy-substituted derivatives
  作者：Jaime J. Cornejo、Shahram Ghodsi、R. Douglas Johnson、Rick Woodling、Bruce Rickborn

  DOI：10.1021/jo00170a001

  日期：1983.11
• The synthesis and trapping of the first [14]annulyne with benzyne like reactivity. A fast route to several annelated bridged annulenes.
  作者：Reginald H. Mitchell、Pengzu Zhou

  DOI：10.1016/s0040-4039(00)98049-3

  日期：1990.1
• MITCHELL, REGINALD H.;ZHOU, PENGZU, TETRAHEDRON LETT., 31,(1990) N7, C. 5277-5280
  作者：MITCHELL, REGINALD H.、ZHOU, PENGZU

  DOI：——

  日期：——