4,4,4-三氯丁腈 | 19376-56-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4,4,4-三氯丁腈
• 英文名称: 4,4,4-trichloro-butyronitrile
• 英文别名: 4,4,4-Trichlor-butyronitril；4,4,4-trichloro-butyro-nitrile；3-Trichlormethyl-propionitril, 4,4,4-Trichlor-butyronitril；γ-Trichlorbutyronitril；3-Trichlormethyl-propionitril；1,1,1-Trichlor-butyronitril；4,4,4-Trichlorobutanenitrile
• CAS: 19376-56-8
• 化学式: C₄H₄Cl₃N
• mdl: MFCD00101201
• 分子量: 172.441
• InChiKey: IPZCMPDVAFFIID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,4,4-三氯丁腈 在 sodium hydroxide 、 双氧水 作用下， 生成 4,4,4-trichloro-butyric acid amide
  参考文献：
  名称：

  The Chemistry of Acrylonitrile. VI. Cyanoethylation of the Haloforms

  摘要：

  DOI：

  10.1021/ja01220a030
• 作为产物：
  描述：

  4,4,4-三氯丁酸 生成 4,4,4-三氯丁腈
  参考文献：
  名称：

  Nerdel,F. et al., Chemische Berichte, 1968, vol. 101, p. 1407 - 1413

  摘要：

  DOI：

文献信息

• Formation of a reasonably stabilized trichloromethyl anion by the reaction of chloroform with electrogenerated base, and its 1,4-addition to α,β-unsaturated carbonyl compounds
  作者：Tatsuya Shono、Manabu Ishifune、Osamu Ishige、Hiroshi Uyama、Shigenori Kashimura

  DOI：10.1016/s0040-4039(00)97274-5

  日期：1990.1

  A reasonably stabilized trichloromethyl anion (TCMA) was formed by the reaction of chloroform with an electrogenerated base prepared by the electroreduction of 2-pyrrolidone, and the addition of this TCMA to α,β-unsaturated esters gave the corresponding β-trichloromethyl esters in good yields.

  氯仿与2-吡咯烷酮的电还原制得的电生成碱反应，形成了相当稳定的三氯甲基阴离子（TCMA），并将该TCMA加到α，β-不饱和酯中得到了相应的β-三氯甲基酯产量。
• Recoverable Phase-Transfer Catalysts with Fluorinated Anions: Generation and Reactions of Dichlorocarbene and CCl3 Anion in the Heterogeneous System KOH(s)/CHCl3/nBu4NPF6
  作者：Galina V. Kryshtal、Galina M. Zhdankina、Sergei G. Zlotin

  DOI：10.1002/ejoc.200701034

  日期：2008.4

  Tetraalkylammonium salts bearing PF6– and BF4– anions have been recognized as recoverable phase-transfer catalysts for the synthesis of 1,1-dichlorocyclopropane and α-(trichloromethyl)carbinol derivatives from alkenes or aldehydes in the heterogeneous system KOH(s)/CHCl3. The catalysts retained their catalytic activity over several reactioncycles.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim

  带有 PF6- 和 BF4- 阴离子的四烷基铵盐已被认为是可回收的相转移催化剂，用于在非均相系统 KOH(s)/CHCl3 中从烯烃或醛合成 1,1-二氯环丙烷和 α-(三氯甲基)甲醇衍生物。催化剂在几个反应循环中保持其催化活性。 (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
• The inhibition effect of inorganic compounds on the corrosion of the 3003 aluminium alloy in the presence of sodium chloride
  作者：L. Bazzi、R. Salghi、A. Bouchtart、Z. El Alami、S. Kertit

  DOI：10.1051/metal:2002192

  日期：2002.2

  This study concerns the inhibition of the corrosion of the aluminium alloy 3003 in a solution of 3% NaCl by Li^{+, Mg2+, MoO_{42-, NO2- and CrO42- ions. The methods used are the determination of the polarization curves and the metallographic examination of the surface condition. The results obtained show that the tested ions inhibit the corrosion process.The comparative study of the effect of these ions shows that the Mg2+ ions are the most efficient ones in the temperature range from 25 to 65°C. The inhibition efficiency increases with the concentration of these ions and reaches a maximum value of 86% for 5 × 10-2 alloy. As a consequence, the gap between pitting and corrosion potentials becomes larger. At 75°C, Mg2+ ions tend to stimulate corrosion of alloy 3003 in the chloride solution considered.}}

  本研究涉及Li^{+、Mg2+、MoO_{4对3003铝合金在3% NaCl溶液中的腐蚀抑制作用2-、NO2- 和 CrO42- 离子。使用的方法是极化曲线的测定和表面状况的金相检查。结果表明，测试的离子对腐蚀过程有抑制作用。对这些离子效果的比较研究表明，在25至65°的温度范围内，Mg2+离子是最有效的离子C.抑制效率随着这些离子浓度的增加而增加，对于 5 × 10-2 合金达到最大值 86%。结果，点蚀电位和腐蚀电位之间的差距变得更大。在 75°C 时，Mg2+ 离子往往会刺激所考虑的氯化物溶液中 3003 合金的腐蚀。}}
• Titanium catalysts, preparation and use in co- and ter-polymerization of alpha-olefins
  申请人：——

  公开号：US20040143127A1

  公开（公告）日：2004-07-22

  Titanium complex having general formula (1) (RCOO) n TiX p wherein R is a monofunctional hydrocarbyl radical having from 1 to 20 carbon atoms and a number of halogen atoms, selected from fluorine, chlorine and bromine, preferably chlorine, ranging from 1 to 6; X is chlorine, bromine or a beta-dicarbonyl group such as acetylacetone (AcAc), formylacetone, benzoylacetone, dibenzoylmethane; p+n=2, 3, 4, preferably p+n=3; n is greater than or equal to 1. The preparation of the above complex and its use in the co- and ter-polymerization of &agr;-olefins, are also described.

  具有一般式（1）（RCOO）nTiXp的钛配合物，其中R是具有1至20个碳原子和一定数量的卤素原子（选择自氟、氯和溴，优选氯），范围为1至6的单官能羟基烃基基团；X是氯、溴或β-二羰基基团，例如乙酰丙酮（AcAc）、甲酰丙酮、苯甲酰丙酮、二苯甲酮；p+n=2、3、4，优选p+n=3；n大于等于1。还描述了上述配合物的制备及其在α-烯烃的共聚和三聚中的应用。
• Process for Preparing 1-Alkyl-3-difluoromethyl-5-hydroxypyrazoles
  申请人：PAZENOK Sergii

  公开号：US20110288304A1

  公开（公告）日：2011-11-24

  The present invention relates to a process for preparing 1-alkyl-3-difluoromethyl-5-hydroxypyrazoles, which are valuable intermediates for the production of fungicides.

  本发明涉及一种制备1-烷基-3-二氟甲基-5-羟基吡唑的方法，该化合物是杀菌剂生产中有价值的中间体。