diethyl 2,3,5,6-tetrafluoroterephthalate | 963-46-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: diethyl 2,3,5,6-tetrafluoroterephthalate
• 英文别名: diethoxy 2,3,5,6-tetrafluoroterephthalate；Tetrafluorterephthalsaeure-diethylester；tetrafluorodiethylterephthalate；Diethyl 2,3,5,6-tetrafluorobenzene-1,4-dicarboxylate
• CAS: 963-46-2
• 化学式: C₁₂H₁₀F₄O₄
• 分子量: 294.203
• InChiKey: VJHKANKUIQTITB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  diethyl 2,3,5,6-tetrafluoroterephthalate 在 硼烷四氢呋喃络合物 、 乙醇 、 氟化氢吡啶 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 36.17h， 生成 2,3,5,6-四氟-4-(三氟甲基)苄醇
  参考文献：
  名称：

  1-溴代甲基-2,3,5,6-四氟-4-(三氟甲基)苯 的制备方法

  摘要：

  本发明公开了一种1‑溴代甲基‑2,3,5,6‑四氟‑4‑(三氟甲基)苯的制备新方法，它是以化合物2,3,5,6‑四氟‑对苯二甲酸为原料，先通过烷基化得到2,3,5,6‑四氟‑对苯二甲酸双酯，再进行单水解，然后氟代甲酸成三氟甲基得到2,3,5,6‑四氟‑4‑三氟甲基苯甲酸酯，还原成醇后经溴代得到目标化合物。该方法的反应原料易得，价格便宜，反应副产物少，产品易于纯化、收率高，适合工业化大生产，从而为新药2‑羟基‑5‑(2,3,5,6‑四氟‑4‑三氟甲基苄氨基)苯甲酸的关键中间体提供了可靠保障。

  公开号：

  CN110117217B
• 作为产物：
  描述：

  四氟对苯二腈 在 盐酸 、 水 作用下， 反应 10.0h， 生成 diethyl 2,3,5,6-tetrafluoroterephthalate
  参考文献：
  名称：

  一种制备2,3,5,6-四氟-1,4-对苯二甲醇的工艺

  摘要：

  本发明公开了一种制备2,3,5,6‑四氟‑1,4‑对苯二甲醇的工艺，属于精细化学品合成技术领域，包括以下反应步骤：(1)2,3,5,6‑四氟‑1,4‑对苯二甲腈在醚类溶剂中，通入干燥的氯化氢气体进行反应，然后加入低碳醇进行反应，得2,3,5,6‑四氟‑1,4‑对苯二甲酸亚氨基酯的溶液；(2)2,3,5,6‑四氟‑1,4‑对苯二甲酸亚氨基酯与水反应，收集有机相，水洗至中性，真空蒸馏脱除溶剂，得2,3,5,6‑四氟‑1,4‑对苯二甲酸二酯；(3)2,3,5,6‑四氟‑1,4‑对苯二甲酸二酯进行催化加氢还原反应，收集有机相，冷却、抽滤、烘干，得2,3,5,6‑四氟‑1,4‑对苯二甲醇。本发明具有原料廉价，操作简便，不产生高浓度酸性废水等优点。

  公开号：

  CN106431833A

文献信息

• POTASSIUM FLUORIDE DISPERSION SOLUTION, AND PROCESS FOR PRODUCTION OF FLUORINATED ORGANIC COMPOUND USING THE SAME
  申请人：Hagiya Koji

  公开号：US20090099387A1

  公开（公告）日：2009-04-16

  A potassium fluoride dispersion essentially consisting of potassium fluoride and an aprotic organic solvent having a boiling point higher than that of methanol, which is obtainable by mixing a mixture containing potassium fluoride and 5 to 50 parts by weight of methanol per 1 part by weight of potassium fluoride with the aprotic organic solvent followed by concentrating the obtained mixture, and a process for producing a fluorine-containing organic compound comprising contacting an organic compound having at least one group capable of being substituted nucleophilically with a fluorine atom with the potassium fluoride dispersion.

  一种氟化钾分散体，基本上由氟化钾和沸点高于甲醇的无极性有机溶剂组成，可通过将含有氟化钾和每1份氟化钾重量配比5至50份甲醇的混合物与无极性有机溶剂混合后浓缩所得混合物而获得，以及一种制备含氟有机化合物的方法，包括将至少具有一个能够被氟原子亲核取代的基团的有机化合物与氟化钾分散体接触。
• ALKALI METAL FLUORIDE DISPERSION AND PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND USING THE SAME
  申请人：Hagiya Koji

  公开号：US20110112321A1

  公开（公告）日：2011-05-12

  An alkali metal fluoride dispersion essentially consisting of an alkali metal fluoride and an aprotic organic solvent obtainable by conducting the following Step (A), subsequently conducting the following Step (B) at least once, and then conducting the following Step(C); Step (A): a step of separating a liquid phase from an alkali metal fluoride dispersion comprising at least one alcohol solvent selected from the group consisting of methanol, ethanol and isopropanol and an alkali metal fluoride, and mixing the separated liquid phase with an aprotic organic solvent having a boiling point of 85° C. or higher at normal pressure to obtain a mixture containing the alkali metal fluoride; Step (B): a step of obtaining a mixture containing the alkali metal fluoride comprising the following Steps (b1) to (b3); Step (b1): a step of concentrating the mixture containing the alkali metal fluoride obtained in Step (A) or Step (b3) to obtain a concentrated fraction and a concentrated residue; Step (b2): a step of mixing a residue of the alkali metal fluoride dispersion obtained by separating the liquid phase in Step (A) or a residue of the mixture obtained by separating a liquid phase in Step (b3) with the concentrated fraction obtained in Step (b1) to obtain a mixture containing an alkali metal fluoride; and Step (b3): a step of separating a liquid phase from the mixture containing an alkali metal fluoride obtained in Step (b2) and mixing the separated liquid phase with the concentrated residue obtained in Step (b1) to obtain a mixture containing an alkali metal fluoride; and Step (C): a step of removing the alcohol solvent from the mixture containing the alkali metal fluoride, which is obtained in Step (B), to obtain the alkali metal fluoride dispersion essentially consisting of the alkali metal fluoride and the aprotic organic solvent.

  一种碱金属氟化物分散体，基本上由碱金属氟化物和无水有机溶剂组成，可通过进行以下步骤（A），随后至少进行以下步骤（B）一次，然后进行以下步骤（C）获得；步骤（A）：将包括甲醇、乙醇和异丙醇中至少一种醇溶剂和碱金属氟化物的碱金属氟化物分散体中的液相与沸点在常压下为85°C或更高的无水有机溶剂混合，以获得含有碱金属氟化物的混合物；步骤（B）：获取含有碱金属氟化物的混合物，包括以下步骤（b1）至（b3）；步骤（b1）：浓缩在步骤（A）或步骤（b3）中获得的含有碱金属氟化物的混合物，以获得浓缩分数和浓缩残渣；步骤（b2）：将通过在步骤（A）中分离液相获得的碱金属氟化物分散体残渣或通过在步骤（b3）中分离液相获得的混合物残渣与在步骤（b1）中获得的浓缩分数混合，以获得含有碱金属氟化物的混合物；步骤（b3）：从在步骤（b2）中获得的含有碱金属氟化物的混合物中分离液相，并将分离的液相与在步骤（b1）中获得的浓缩残渣混合，以获得含有碱金属氟化物的混合物；步骤（C）：从在步骤（B）中获得的含有碱金属氟化物的混合物中去除醇溶剂，以获得基本上由碱金属氟化物和无水有机溶剂组成的碱金属氟化物分散体。
• METHOD FOR PRODUCING ALCOHOL COMPOUND
  申请人：Hagiya Koji

  公开号：US20120010417A1

  公开（公告）日：2012-01-12

  A method for producing an alcohol compound, wherein a carboxylic acid ester compound is reduced with hydrogen in the presence of a ruthenium complex which is obtained by reacting an imidazolium salt (A) having at least one optionally substituted amino group with a ruthenium compound (B) in the presence of a base (C).

  一种生产醇类化合物的方法，其中在存在一种铑配合物的情况下，通过将至少具有一个可选择取代氨基团的咪唑盐(A)与一种铑化合物(B)在碱(C)的存在下反应而获得的铑配合物，将羧酸酯化合物与氢气还原。
• Preparation of one intermediate for pyrethroids
  申请人：Wang Dongchao

  公开号：US20070055075A1

  公开（公告）日：2007-03-08

  Methods for preparing 2,3,5,6-tetrafluorodimethylolbenzene, an intermediate for the preparation of pyrethroids, are disclosed. A method for preparing 2,3,5,6-tetrafluorodimethylolbenzene includes the reduction of tetrafluoroterephthalate. Various reduction processes are disclosed, which are simple and safe and can afford the product in high yield and purity. Processes for preparing tefluthrin from 2,3,5,6-tetrafluorodimethylolbenzene, by halogenation, hydrogenation, and esterification, are also disclosed.

  本文公开了制备拟除虫菊酯中间体2,3,5,6-四氟二甲醇苯的方法。其中一种制备2,3,5,6-四氟二甲醇苯的方法包括四氟对苯二甲酸酯的还原。本文还公开了多种还原工艺，这些工艺简单安全，能够高产高纯地制得产物。本文还公开了通过卤化、氢化和酯化制备特氟氰菊酯的工艺，其中以2,3,5,6-四氟二甲醇苯为原料。
• Trifluoro-3-hydroxy-1<i>H</i>-indazolecarboxylic Acids and Esters from Perfluorinated Benzenedicarboxylic Acids
  作者：Carlos Pérez Medina、Concepción López、Rosa M. Claramunt、José Elguero

  DOI：10.1002/ejoc.200901102

  日期：2010.2

  Twelve new 3-hydroxyindazoles, each bearing three fluorine substituents and a CO 2 R group (R = H, CH 3 , C 2 H 5 ) distributed around its 4-, 5-, 6-, and 7-positions, have been synthesized. They were studied by NMR in solution ( 1 H, 13 C, 15 N, 19 F) and in the solid state ( 13 C, 15 N). In solution, all of them are 3-hydroxy tautomers: the a form. In the solid state, although the 3-hydroxy tautomers

  已经合成了 12 个新的 3-羟基吲唑，每个都带有三个氟取代基和一个分布在其 4-、5-、6-和 7-位周围的 CO 2 R 基团（R = H、CH 3 、C 2 H 5 ） . 通过NMR在溶液( 1 H, 13 C, 15 N, 19 F)和固态( 13 C, 15 N)中研究它们。在溶液中，它们都是 3-羟基互变异构体：a 形式。在固态下，虽然 3-羟基互变异构体仍然是最常见的，但也有一些 indazolin-3-ones - b 型 - 和一个非常罕见的例子 (12ab)，其中两种互变异构体都存在。