pentachlorophenyllithium | 6782-80-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: pentachlorophenyllithium
• CAS: 6782-80-5
• 化学式: C₆Cl₅*Li
• 分子量: 256.272
• InChiKey: IONVFHSUOXTTCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  pentachlorophenyllithium 在 正丁基锂 作用下， 以 乙醚 、 正己烷 、 正庚烷 、 甲苯 、 正戊烷 为溶剂， 反应 30.25h， 生成 bis(pentachlorophenyl)(pentafluorophenyl)borane
  参考文献：
  名称：

  Novel B(Ar′)₂(Ar′′) hetero-tri(aryl)boranes: a systematic study of Lewis acidity

  摘要：

  研究了通过逐步芳基取代相关的九种同系和异系三(芳基)硼烷，作为FLP的一部分进行H₂裂解，并讨论了比较Lewis酸度/电化学测量。

  DOI：

  10.1039/c5dt03854e
• 作为产物：
  描述：

  六氯苯 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 生成 pentachlorophenyllithium
  参考文献：
  名称：

  钍 (IV) 和铀 (IV) 的均质全氯苯基“Ate”配合物

  摘要：

  AnCl 4 (DME) n (An = Th, n = 2; U, n = 0) 与 5 当量的 LiC 6 Cl 5在 Et 2 O 中的反应导致均配锕系元素-芳基“酯”络合物的形成 [ Li(DME) 2 (Et 2 O)] 2 [Li(DME) 2 ][Th(C 6 Cl 5 ) 5 ] 3 ([Li][ 1 ]) 和 [Li(Et 2 O) 4 ][U (C 6 Cl 5 ) 5 ] ([Li][ 2]). 类似地，AnCl 4 (DME) n（An = Th，n = 2；U，n = 0）与Et 2 O 中的 3 当量 LiC 6 Cl 5的反应导致杂配锕系元素芳基“酯”的形成络合物 [Li(DME) 2 (Et 2 O)][Li(Et 2 O) 2 ][ThCl 3 (C 6 Cl 5 ) 3 ] ([Li][ 3 ]) 和 [Li(Et 2 O) 3 ][UCl 2 (C 6

  DOI：

  10.1021/acs.inorgchem.1c01686
• 作为试剂：
  描述：

  1-萘乙腈 在 正丁基锂 、 pentachlorophenyllithium 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 以40%的产率得到α-(1-Naphthyl)-α-(2,3,5,6-tetrachlorophenyl)acetonitrile
  参考文献：
  名称：

  Reaction of Hexachlorobenzene and (Pentachlorophenyl)lithium with .alpha.-Arylacetonitriles

  摘要：

  (Pentachlorophenyl)lithium (2) reacts with alpha-lithio-alpha-arylacetonitriles (4) at -70 degrees C to room temperature to supply alpha-aryl-alpha-(2,3,5,6-tetrachlorophenyl)ace a. Small amounts of 1,2,4,5-tetrachlorobenzene (8) and trans-1,2-dicyano-1,2-diarylethylenes 9 are also obtained; however, no alpha-tetrachloroarylated nitriles 6 from 3,4,5,6-tetrachlorobenzyne were detected. Similar treatment of hexachlorobenzene (1) and 4 afforded alpha-aryl-alpha-(2,3,4,5,6-pentachlorophenyl)acetonitriles 10. The addition of 2 to 4 at tetrachlorobenzyne-generating temperatures (0-20 degrees C) gave a complex mixture containing mainly dimeric and polymeric materials; 6 was not found. A mechanism is proposed for the reaction of 2 and 4 which suggests that nitriles 7 are formed by the condensation of 2 and 4 via a four-centered transition state and that alkenes 9 are supplied by a base-mediated dimerization of alpha-chloro-alpha-arylacetonitriles 13, formed by a lithium-chlorine exchange between 2 and 4. Nitriles 10 most likely are provided from the reaction of 1 and 4 by the usual aromatic nucleophilic substitution pathway.

  DOI：

  10.1021/jo00112a019

文献信息

• [EN] PROCESS FOR PRODUCING METHANOL<br/>[FR] PROCÉDÉ DE FABRICATION DE MÉTHANOL
  申请人：ISIS INNOVATION

  公开号：WO2011045605A1

  公开（公告）日：2011-04-21

  The present invention relates to a novel process for the production of methanol. The process comprises the heterolytic cleavage of hydrogen by a frustrated Lewis pair comprising a Lewis acid and a Lewis base; and the hydrogenation of CO2 with the heterolytically cleaved hydrogen to form methanol.

  本发明涉及一种生产甲醇的新工艺。该工艺包括通过一个受阻的刘易斯对（包括一个刘易斯酸和一个刘易斯碱）对氢进行异裂；以及用异裂的氢对CO2进行氢化，形成甲醇。
• Synthesis and isolation of the 1,2,3,4,5,6,7, octachloro-9-(pentachlorophenyl)-9,10-dihydro-9-anthryl, a new stable free radical
  作者：José Irurre、Carles Farrerons、Juan Castañer、Juan Riera、Luis Juliá

  DOI：10.1016/s0040-4039(00)61149-8

  日期：1992.9

  the synthesis of 1,2,3,4,5,6,7,8-octachloro-9(pentachlorophenyl)-9,10-dihydro-9-anthryl radical (7), the first example of a new series of stable radicals, and its precursor 1,2,3,4,5,6,7,8-octachloro-10-(dichloromethyl)-9-(pentachlorophenyl)-9,10-dihydroanthracene (6) are presented.

  1,2,3,4,5,6,7,8-八氯-9（五氯苯基）-9,10-二氢-9-蒽基的合成（7），这是一系列新的稳定基团的第一个例子，及其前体1,2,3,4,5,6,7,8-八氯-10-（二氯甲基）-9-（五氯苯基）-9,10-二氢蒽（6）被提出。
• Chlorocarbon derivatives of tin
  作者：T. Chivers、B. David

  DOI：10.1016/s0022-328x(00)88870-1

  日期：1968.7

  obtained by the reaction of (dimethylamino) trimethyltin (I) with the appropriate chlorohydrocarbon. Me3SnC6Cl5 (IV) has been prepared from trimethyltin chloride and either C6Cl5Li or C6Cl5MgCl. (Trichloromethyl) trimethyltin with BCl3 at 25° gives Me2Sn(CCl3)Cl (V), which on treatment with BCl3 at 60° gives Me2SnCl2. Dimethyl(trichloromethyl)tin chloride gives Me2SnCl2 when heated at 120°, and when heated

  通过使（二甲基氨基）三甲基锡（I）与适当的氯代烃反应，获得了Me 3 SnCCl 3（II）和Me 3 SnCCl 3 CCl 2（III）。由三甲基氯化锡和C 6 Cl 5 Li或C 6 Cl 5 MgCl制备Me 3 SnC 6 Cl 5（IV）。（三氯甲基）三甲基锡与BCl 3在25°产生Me 2 Sn（CCl 3）Cl（V），在BCl 3于60°处理时得到Me 2 SnCl 2。二甲基（三氯甲基）氯化锡在120°加热时，得到Me 2 SnCl 2，在60°水加热时，得到1,3-二氯-1,1,3,3-四甲基二恶烷。
• The dechlorination of some highly chlorinated naphthalene derivatives
  作者：Neil J Hales、Harry Heaney、John H Hollinshead、Steven Mf Lai、Pritpal Singh

  DOI：10.1016/0040-4020(95)00396-p

  日期：1995.7

  The [4+2]cycloadducts formed between tetrachlorobenzyne and a variety of arenes and cyclic 1,3-dienes have been reductively dechlorinated. The products are formally benzyne cycloadducts, many of which are difficult to make by other routes. High yields are obtained when sodium and t-butanol in boiling THF are used for the reduction. THF serves as a solvent but t-butanol not only acts as a proton donor

  在四氯苯并与各种芳烃和环状1,3-二烯之间形成的[4 + 2]环加合物已被还原脱氯。该产品是正式的苯并环加合物，其中许多很难通过其他途径制备。当使用沸腾的THF中的钠和叔丁醇进行还原时，可获得高收率。THF用作溶剂，但叔丁醇不仅充当质子供体，而且似乎开始还原。每当需要苯并本身时，就应考虑将四氯苯甲酮视为替代试剂。
• Regiospecific fragmentation of benzene derivatives: synthetic and analytical applications
  作者：Neil J Hales、Harry Heaney、John H Hollinshead、Steven V Ley

  DOI：10.1016/0040-4020(95)00395-o

  日期：1995.7

  The cycloadducts farmed from arenes and tetrachloroand tetrafluorobenzyne have been shown to undergo specific addition-fragmentation reactions. These sequences are both simple syntheses of arenes with unusual substitution patterns and a convenient alternative to the other methods currently available for assaying the isotopic distribution in [14C]-labelled benzene derivatives.

  由芳烃和四氯和四氟苯并farm养殖的环加合物已显示出发生特定的加成-片段化反应。这些序列既是具有不同取代模式的芳烃的简单合成，也是目前可用于检测[ 14 C]标记的苯衍生物中同位素分布的其他方法的便捷替代方法。