2-(1-pyrenyl)-propan-2-ol | 78751-49-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2-(1-pyrenyl)-propan-2-ol
• 英文别名: 2-Pyren-1-ylpropan-2-ol
• CAS: 78751-49-2
• 化学式: C₁₉H₁₆O
• 分子量: 260.335
• InChiKey: SLUZYLBKESQGJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(1-pyrenyl)-propan-2-ol 在 盐酸 、 sodium ethanolate 作用下， 以 乙醚 、 乙醇 为溶剂， 生成 1-isopropenylpyrene
  参考文献：
  名称：

  Berg, Arne; Lam, Joergen; Hansen, Poul Erik, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1986, vol. 40, # 8, p. 665 - 677

  摘要：

  DOI：
• 作为产物：
  描述：

  甲基碘化镁 、 1-乙酰基芘 以 乙醚 、 苯 为溶剂， 反应 1.0h， 以85%的产率得到2-(1-pyrenyl)-propan-2-ol
  参考文献：
  名称：

  Berg, Arne; Lam, Joergen; Hansen, Poul Erik, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1986, vol. 40, # 8, p. 665 - 677

  摘要：

  DOI：

文献信息

• PHOTOBASE GENERATOR
  申请人：Kuramoto Ayako

  公开号：US20110233048A1

  公开（公告）日：2011-09-29

  There is intended to provide the novel compounds which generate a base easily when irradiated with long wavelength light (active energy rays), a photobase generator containing the compounds and a photobase generation method, and the present invention relates to the compounds represented by the general formula [1], a photobase generator containing the compounds and a photobase generation method: (wherein, Ar represents any of groups with specific structures selected from the group consisting of an anthracenyl group, an anthraquinonyl group and a pyrenyl group; R 1 and R 2 each independently represent a hydrogen atom or a linear, branched or cyclic alkyl group having 1 to 10 carbon atoms, or represent ones which can form an alicyclic ring containing nitrogen atom(s) or an aromatic ring containing nitrogen atom(s) together with a nitrogen atom to which they are bound, which the rings having 3 to 8 carbon atoms which may have a substituent, R 3 and R 4 each independently represent a hydrogen atom, a linear, branched or acyclic alkyl group having 1 to 10 carbon atoms).

  本发明旨在提供当受长波长光（活性能量射线）照射时易于产生碱的新化合物，包含这些化合物的光碱发生器以及光碱生成方法，本发明涉及由通式[1]表示的化合物，包含这些化合物的光碱发生器以及光碱生成方法：（其中，Ar代表从蒽基团、蒽醌基团和芘基团中选择的具有特定结构的任何基团；R1和R2各自独立地代表氢原子或具有1至10个碳原子的直链、支链或环烷基基团，或表示能够与它们结合的氮原子形成含氮原子的脂环烷基环或含氮原子的芳香环，这些环具有3至8个碳原子，可能有取代基；R3和R4各自独立地代表氢原子，具有1至10个碳原子的直链、支链或非环烷基基团）。
• LIGHT-EMITTING ELEMENT MATERIAL PRECURSOR AND PRODUCTION METHOD THEREFOR
  申请人：Shirasawa Nobuhiko

  公开号：US20120012833A1

  公开（公告）日：2012-01-19

  A light emitting device material precursor represented by the Formula (1): (wherein R 1 to R 6 each may be the same or different and is selected from the group consisting of hydrogen, alkyl groups, cycloalkyl groups, alkenyl groups, cycloalkenyl groups, alkoxy groups, alkylthio groups, arylether groups, aryl thioether groups, aryl groups and heteroaryl groups, with the proviso that at least one of R 1 to R 6 has a fused aromatic hydrocarbon having two or more rings).

  一种发光装置材料前体，由式（1）表示： （其中，R1至R6各自可以相同或不同，并从氢、烷基、环烷基、烯基、环烯基、烷氧基、烷硫基、芳基醚基、芳基硫醚基、芳基和杂环芳基组成的群体中选择，但至少有一个R1至R6具有具有两个或更多环的融合芳香烃）。
• Charge Delocalization Pathways in Persistent 1-Pyrenyl-, 4-Pyrenyl-, and 2-Pyrenylmethylcarbenium Ions as Models of PAH−Epoxide Ring Opening:  NMR Studies in Superacids and AM1 Calculations
  作者：Kenneth K. Laali、Poul Erik Hansen

  DOI：10.1021/jo9707343

  日期：1997.8.1

  The relative stability, magnitude, and mode of charge delocalization into the pyrene moiety (Py) were evaluated for a series of tertiary and secondary 1-pyrenylmethylcarbenium ions PyC+R1R2 and PyC+R3H (with R-1 = R-2 = Me and Ph; R-3 = Me, Ph, CH2Ph, and (CH2)(10)Me), 4-pyrenylmethylcarbenium ions (with R-1 = R-2 = Me; R-3 = Me and Ph), and 2-pyrenylmethylcarbenium ions (with R-1 = R-2 = Me). The carbocations were generated from the corresponding carbinols by protonation with FSO3H/SO2ClF. The primary 1-pyrenyl- and 2-pyrenylmethyl cations could not be generated by ionization of their primary alcohols. Within the tertiary and the secondary carbocations, pi-charge delocalization into the pyrene moiety and the pyrenium ion character of the resulting carbocations increase in the order: 1-pyrenyl (alpha) > 4-pyrenyl (alpha beta) > 2-pyrenyl (beta). The NMR characteristics of the resulting ions are discussed and compared. The connection between charge delocalization/ stability in the regioisomeric pyrenylmethyl carbocations and the magnitude of carcinogenic activity in the benzannelated pyrenes, for which the bay-region diol-epoxides are the ultimate carcinogens, are discussed.
• BERG A.; LAM J.; HANSEN P. E., ACTA CHEM. SCAND., 40,(1986) N 8, 665-677
  作者：BERG A.、 LAM J.、 HANSEN P. E.

  DOI：——

  日期：——
• US8957212B2
  申请人：——

  公开号：US8957212B2

  公开（公告）日：2015-02-17