2-氰基-1,3-二苯基-1,3-丙二酮 | 31879-47-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: 2-氰基-1,3-二苯基-1,3-丙二酮
• 英文名称: dibenzoylacetonitrile
• 英文别名: 2-benzoyl-3-oxo-3-phenylpropanenitrile
• CAS: 31879-47-7
• 化学式: C₁₆H₁₁NO₂
• 分子量: 249.269
• InChiKey: RTTXSVQQTLBEOV-UHFFFAOYSA-N

物化性质

• 熔点：
  159-160 °C
• 沸点：
  466.4±40.0 °C(Predicted)
• 密度：
  1.203±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  57.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氰基-1,3-二苯基-1,3-丙二酮 在 一水合肼 作用下， 以 甲醇 为溶剂， 以3.6 g的产率得到3,5-diphenyl-4-cyanopyrazole
  参考文献：
  名称：

  New trisubstituted cyanopyrazoles and cyanoscorpionates

  摘要：

  New syntheses are reported to give pyrazoles with cyano substituents at the 4-position of the pyrazole ring and ethyl or isopropyl substituents at the 3-position, as well as pyrazoles with cyano substituents at the 4-position and alkyl/aryl/bromo substituents at both the 3-and 5-positions. Synthesis of scorpionates using tetradecane as a high-boiling solvent has been shown to be more efficient than the melt method and has led to new scorpionates using the newly synthesized pyrazoles. An unexpected complex is isolated in which the Ni(cyclam)2(+) moiety crystallizes with two cyanoscorpionates as counterions, without binding of the scorpionate ligands to the Ni atom. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2016.12.016
• 作为产物：
  描述：

  phenyl(5-phenylisoxazol-4-yl)methanone 在 sodium methylate 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 10.0h， 以82%的产率得到2-氰基-1,3-二苯基-1,3-丙二酮
  参考文献：
  名称：

  Menozzi, Giulia; Schenone, Pietro; Mosti, Luisa, Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 645 - 648

  摘要：

  DOI：

文献信息

• Anodic Cyanation of β-Dicarbonyl Compounds
  作者：Mitsuhiro Okimoto、Kaori Numata、Yukio Takahashi、Masayuki Hoshi、Kenta Tomozawa、Takamasa Shigemoto

  DOI：10.1055/s-2005-872685

  日期：——

  β-dicarbonyl compounds were electrochemically oxidized in a methanolic solution in the presence of sodium cyanide and sodium methoxide to yield the corresponding α-cyano-β-dicarbonyl compounds in moderate to good yields. Presumably, a two-electron transfer transforms the anion derived from the β-dicarbonyl compounds into a cation, which then reacts with a cyanide ion to afford the cyanation products.

  在氰化钠和甲醇钠的存在下，几种β-二羰基化合物在甲醇溶液中被电化学氧化，以中等至良好的产率产生相应的α-氰基-β-二羰基化合物。据推测，双电子转移将衍生自 β-二羰基化合物的阴离子转化为阳离子，然后与氰化物离子反应得到氰化产物。
• A Facile Transition Metal‐Free Ionic Liquid [BMIM]OH Mediated Regio‐ and Stereoselective Hydrocarboxylation of Alkynylnitriles
  作者：Chandresh Kumari、Avijit Goswami

  DOI：10.1002/ejoc.202001369

  日期：2021.1.22

  An atom economical and transition metal‐free, green methodology for the synthesis of nitrile substituted Z‐enol esters via ionic liquid [BMIM]OH mediated hydrocarboxylation of alkynylnitriles is reported.

  报道了一种通过离子液体[BMIM] OH介导的炔腈加氢羧化反应合成腈取代的Z-烯醇酯的经济，无过渡金属的绿色方法。
• Studies on Heteroaromaticity. XLIV. Reactivities of Benzoyl Cyanide<i>N</i>-Oxide and Some Derivatives Therefrom
  作者：Tadashi Sasaki、Toshiyuki Yoshioka、Yasuyuki Suzuki

  DOI：10.1246/bcsj.44.185

  日期：1971.1

  ω-Chloroisonitrosoacetophenone was treated with ethylenic and acetylenic dipolarophiles to afford 3-benzoylisoxazolinines and -isoxazoles, respectively. With m-nitrobenzaldoxime or m-nitrobenzonitrile, it yielded 3-benzoyl-5-(m-nitrophenyl)-1,2,4-oxadiazole. The phenylhydrazones of the 3-benzoylisoxazole and -oxodiazole thus produced were converted to the corresponding 1,2,3-triazoles thermally or

  ω-氯异亚硝基苯乙酮用烯属和炔属偶极体处理，分别得到 3-苯甲酰基异恶唑啉和 -异恶唑。用间硝基苯甲醛肟或间硝基苯甲腈生成 3-苯甲酰基-5-（间硝基苯基）-1,2,4-恶二唑。由此产生的3-苯甲酰基异恶唑和-恶二唑的苯腙通过加热或用碱处理转化为相应的1,2,3-三唑。3-苯甲酰基-5-苯基异恶唑的光诱导重排得到2-苯甲酰基-5-苯基恶唑。用氮丙啶处理ω-氯异亚硝基苯乙酮得到一种新型的氮丙啶肟，它被转化为2-苯甲酰恶唑啉。
• [EN] CERIUM (IV) COMPLEXES AND THEIR USE IN ORGANIC ELECTRONICS<br/>[FR] COMPLEXES DE CÉRIUM (IV) ET LEUR UTILISATION DANS L'ÉLECTRONIQUE ORGANIQUE
  申请人：UNIV DRESDEN TECH

  公开号：WO2021048044A1

  公开（公告）日：2021-03-18

  The present invention relates to an electronic component comprising a cerium IV complex, a doped semi-conductor matrix material comprising the cerium IV complex and at least one electron donor, the use of the cerium IV complex, especially as an organic semi-conductor, as a dopant in organic semiconductor matrix materials and as a charge injector in a charge injection layer, and new cerium IV complexes.

  本发明涉及一种电子元件，其包括一个四价铈配合物、一个掺杂的半导体基体材料，其中包括该四价铈配合物和至少一个电子给体，以及该四价铈配合物的应用，特别是作为有机半导体中的掺杂剂，作为有机半导体基体材料中的电荷注入层，并且新的四价铈配合物。
• Tomioka, Yukihiko; Mochiike, Akihumi; Himeno, Junko, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 5, p. 1286 - 1291
  作者：Tomioka, Yukihiko、Mochiike, Akihumi、Himeno, Junko、Yamazaki, Motoyoshi

  DOI：——

  日期：——