1,1,1-trichloropentan-2,4-dione | 686-92-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1,1-trichloropentan-2,4-dione
• 英文别名: 1,1,1-trichloroacetylacetone；1,1,1-trichloro-pentane-2,4-dione；1,1,1-Trichloropentane-2,4-dione
• CAS: 686-92-0
• 化学式: C₅H₅Cl₃O₂
• 分子量: 203.452
• InChiKey: OENLNZDSQGYXOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1,1-trichloropentan-2,4-dione 在 氨 作用下， 以 苯 为溶剂， 生成 1,1,1-Trichlor-4-aminopent-3-en-2-on
  参考文献：
  名称：

  Ringel,C.; Mayer,R., Journal fur praktische Chemie (Leipzig 1954), 1964, vol. 26, p. 333 - 339

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1,1-trichloro-4-methoxy-3-penten-2-one 在 硫酸 作用下， 反应 4.0h， 生成 1,1,1-trichloropentan-2,4-dione
  参考文献：
  名称：

  卤代反应合成羟基吡唑和1-甲基-3-异恶唑酮

  摘要：

  的一个新系列hydroxypyrazoles（合成2A - ˚F（和2-甲基-3- isoxazolones）3A - d从三氯甲基取代的1,3- dielectrophiles的环化缩合反应）（1A - ˚F）与干燥的肼和ñ -报道了甲基羟胺。当在碱性介质下使用乙腈时，区域特异性的环缩合反应在卤仿型反应中消除了三氯甲基。化合物2和3的结构主要由1 H和13 C NMR光谱确定。

  DOI：

  10.1016/s0040-4039(02)00874-2

文献信息

• Lanthanide catalysts for the hetero Diels–Alder reaction: effect of ligand structure and acidity
  作者：Claude Spino、Laurel L. Clouston、David J. Berg

  DOI：10.1139/v97-125

  日期：1997.8.1

  A series of yttrium, ytterbium, and lanthanum hexa-or heptacoordinate complexes were prepared and their catalytic activities tested in the hetero Diels–Alder reaction between crotonaldehyde and ethyl vinyl ether. It was found that a pK_a below 7 of the ligand was necessary but not sufficient for catalytic activity. It was determined that the ligand should possess a perfluoromethyl-β-diketonate functionality. Other factors such as bite angle and hinging motion may also play a determining role. Keywords: lanthanide, catalyst, hetero Dielsis–Alder, yttrium, ytterbium, lanthanum.

  一系列的钇、镱和镧的六或七配位配合物已被制备并在丁烯醛和乙基乙烯醚的杂Diels-Alder反应中测试了它们的催化活性。发现配体的pK_a低于7是必要的但不足以保证催化活性。确定了配体应具有全氟甲基-β-二酮酸酯功能。其他因素，如咬合角度和铰链运动，也可能发挥决定性作用。关键词：镧系元素、催化剂、杂Diels-Alder、钇、镱、镧。
• High-voltage cable having a polyethylene containing insulation sheath which is provided with means to avoid or impede the formation or the growth of watertrees
  申请人：Philips Electronics N.V.

  公开号：EP0027300A1

  公开（公告）日：1981-04-22

  A high voltage cable comprising a conductor and a polythene containing insulation sheath (2) is provided with a metal complex of a diketone, salicylic acid optionally substituted with 1 to 2 lower alkyl groups, or a Schiff's base formed from an amine and salicylaldehyde optionally substituted with 1 to 2 lower alkyl groups, in order to prevent or impede the growth ofwatertrees during use.

  一种由导体和含聚乙烯的绝缘护套（2）组成的高压电缆中含有一种二酮金属络合物、任选被 1 至 2 个低级烷基取代的水杨酸或由胺和任选被 1 至 2 个低级烷基取代的水杨醛形成的席夫碱，以防止或阻止水树在使用过程中生长。
• Dyestuff-containing microscopic capsule suspension for record materials
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0054277A2

  公开（公告）日：1982-06-23

  Dyestuff-containing microscopic capsule suspension for record materials, containing in microscopic capsules a lactone family dyestuff represented by the general formula (1): wherein a, b, c and d are each a carbon atom oreither one or two atoms of said a, b, c and d are nitrogen atoms and the remaining are carbon atoms, said a, b, c and d may have one or two substituent groups, adjacent a-b, b-c orc-d bond may form another ring, X and Y represent individually a benzene, naphthalene or aromatic heterocyclic ring which may include one or more substituent groups, and X and Y may be the same or different and may be coupled together to form a ring; and a metal ion sequestering agent in the capsules or a liquid medium in which the capsules is suspended.

  用于记录材料的含染料微胶囊悬浮液，在微胶囊中含有由通式（1）表示的内酯族染料：其中 a、b、c 和 d 各为一个碳原子，所述 a、b、c 和 d 中的一个或两个原子为氮原子，其余为碳原子，所述 a、b、c 和 d 可具有一个或两个取代基，相邻的 a-b、b-c 或 c-d 键可形成另一个环，X 和 Y 分别代表苯环、萘环或芳香杂环，其中可包括一个或多个取代基，X 和 Y 可相同或不同，并可耦合在一起形成一个环；以及胶囊或悬浮胶囊的液体介质中的金属离子螯合剂。
• Bodnarchuk,N.D. et al., Journal of Organic Chemistry USSR (English Translation), 1972, vol. 8, # 12, p. 2542 - 2544
  作者：Bodnarchuk,N.D. et al.

  DOI：——

  日期：——
• The mass spectra of 1,1,1-trichloro-2,4-pentanedione and its Al(III), Cr(III), Fe(III), Mn(II), Co(II) and Cu(II) complexes
  作者：M. L. Morris、R. D. Koob

  DOI：10.1002/oms.1210171009

  日期：1982.10

  AbstractThe compounds 1,1,1‐trichloro‐2,4‐pentanedione, Cu(II)tca2, Co(II)tca2, Mn(II)tca2, Al(III)tca3, Cr(III)tca3 and Fe(III)tca3 (tca1,1,1‐trichloro‐2,4‐pentanedionato, [CCl3COCHCOCH3]−) have been prepared and their mass spectra have been obtained. The mass spectral results have been compared with findings for comparable fluorinated and nonhalogenated compounds. Comparisons are made in terms of internal redox reactions and hard and soft acid base theory. Rearrangement of chloride from ligand to metal accompanied by the elimination of CO or other neutral even electron fragments emerges as an important reaction for the ions of these compounds. While the internal redox reactions characteristic of all previous β‐diketonate complex mass spectra still occur, their importance appears reduced to some degree by the facility of the chlorine rearrangement.