2-氯-1-(2,4,5-三氟苯基)乙酮 | 129604-31-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氯-1-(2,4,5-三氟苯基)乙酮
• 中文别名: 苯甲酸3-(甲酰氨基)-乙酯(9CI)
• 英文名称: 2-chloro-1-(2,4,5-trifluorophenyl)ethanone
• 英文别名: 2,4,5-trifluoro-α-chloroacetophenone；2,4,5-trifluoro-phenacyl chloride
• CAS: 129604-31-5
• 化学式: C₈H₄ClF₃O
• 分子量: 208.567
• InChiKey: YEQFFYDYVFAIDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氯-1-(2,4,5-三氟苯基)乙酮 在 sodium hypochlorite 作用下， 生成 2,4,5-三氟苯甲酸
  参考文献：
  名称：

  Braish, Tamim F.; Fox, Darrell E., Organic Preparations and Procedures International, 1991, vol. 23, # 5, p. 655 - 658

  摘要：

  DOI：
• 作为产物：
  描述：

  2',4',5'-三氟苯乙酮 在 N-氯代丁二酰亚胺 作用下， 以 溶剂黄146 为溶剂， 反应 5.0h， 以54%的产率得到2-氯-1-(2,4,5-三氟苯基)乙酮
  参考文献：
  名称：

  Azolylmethyloxiranes, Their Use for Controlling Phytopathogenic Fungi and Compositions Comprising Them

  摘要：

  本发明涉及通式I的咪唑基氧环丙烷，其中A为被三个F取代的苯基，B为未取代的吡啶基、噻吩基、噻唑基、噁唑基或呋喃基，或者为被以下一到三种取代基取代的苯基：卤素、NO2、氨基、C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、C1-C4卤代烷氧基、C1-C4烷基氨基、C1-C4二烷基氨基、硫醚或C1-C4烷基硫醚，以及该化合物的植物相容性酸盐或金属盐，以及用于控制植物病原真菌的通式I化合物的用途和包含这些化合物的组合物。

  公开号：

  US20100167924A1

文献信息

• NEW PROCESS FOR THE PREPARATION OF 2,4,5- TRIFLUOROPHENYLACETIC ACID"
  申请人：F.I.S. -Fabrica Italiana Sintetici S.p.A.

  公开号：US20140058126A1

  公开（公告）日：2014-02-27

  The present invention relates to a new process for the preparation of 2,4,5-trifluorophenylacetic acid and salts thereof by means of new synthetic intermediates.

  本发明涉及一种通过新的合成中间体制备2,4,5-三氟苯乙酸及其盐的新工艺。
• Process for the preparation of fluorinated benzoic acids
  申请人：Cassella Aktiengesellschaft

  公开号：US05093529A1

  公开（公告）日：1992-03-03

  In the process for the preparation of fluorinated benzoic acids of the formula I ##STR1## in which X and Y, for example, independently of one another denote chlorine or fluorine and X moreover denotes bromine, a fluorinated chloroacetophenone of the formula II ##STR2## in which Z denotes chlorine or hydrogen, is reacted with a hypohalite.

  在制备化学式I的氟代苯甲酸过程中，其中X和Y，例如，彼此独立地表示氯或氟，而X还表示溴，化学式II的氟代氯代苯乙酮与次氯酸盐发生反应。
• Antimycotically active substituted 2-aminothiazoles
  申请人：Bayer Aktiengesellschaft

  公开号：US05104879A1

  公开（公告）日：1992-04-14

  Antimicotically active 2-aminothiazoles have been found having the formula ##STR1## in which R.sup.1 represents hydrogen or alkyl and R.sup.2 represents optionally substituted cyclohexyl or phenyl which is substituted by halogen, alkyl, halogenoalkyl, halogenoalkoxy, dioxyhalogenoalkyl or halogenoalkylthio, and their physiologically tolerable acid addition salts, with the exception of the compounds 4-(4-chlorophenyl)-2-[2-(1,4,5,6-tetrahydropyrimidinyl)-amino]thiazole and 4-(2,4-dichlorophenyl)-2-[2-(1,4,5,6-tetrahydropyrimidinyl)-amino]-thiazol e and 4-(4-chloro-2-methylphenyl)-2-[2-(1,4,5,6-tetrahydropyrimidinyl)-amino]-th iazole and with the exception of the physiologically tolerable acid addition salts of these compounds have been found.

  已发现具有以下公式的抗真菌活性的2-氨基噻唑类化合物：##STR1## 其中R.sup.1代表氢或烷基，R.sup.2代表可选的取代环己基或苯基，该苯基被卤素，烷基，卤代烷基，卤代烷氧基，二氧卤代烷基或卤代烷硫基取代，以及它们的生理耐受性酸加合物，但4-(4-氯苯基)-2-[2-(1,4,5,6-四氢嘧啶基)-氨基]噻唑和4-(2,4-二氯苯基)-2-[2-(1,4,5,6-四氢嘧啶基)-氨基]-噻唑和4-(4-氯-2-甲基苯基)-2-[2-(1,4,5,6-四氢嘧啶基)-氨基]-噻唑及其生理耐受性酸加合物除外。
• Fluorine-containing acetophenones optionally halogenated on the CH.sub.3
  申请人：Bayer Aktiengesellschaft

  公开号：US05142092A1

  公开（公告）日：1992-08-25

  Fluorine-containing acetophenones, optionally halogenated on the CH.sub.3 group, of the formula ##STR1## in which X represents hydrogen, chlorine or bromine and the radicals R.sub.1 to R.sub.5 have the following meaning, a) R.sub.1 and R.sub.4 denote fluorine, R.sub.2 and R.sub.5 denote chlorine and R.sub.3 denotes CF.sub.3, or b) R.sub.1, R.sub.3 and R.sub.4 denote fluorine and R.sub.2 and R.sub.5 denote hydrogen, or c) R.sub.1, R.sub.4 and R.sub.5 denote hydrogen, R.sub.2 denotes chlorine and R.sub.3 denotes CF.sub.3, or d) R.sub.1, R.sub.4 and R.sub.5 denote hydrogen, R.sub.2 denotes chlorine and R.sub.3 denotes OCF.sub.3, or e) R.sub.1, R.sub.4 and R.sub.5 denote hydrogen and R.sub.2 and R.sub.3 denote CF.sub.3, or f) R.sub.1 denotes chlorine, R.sub.2 denotes CF.sub.3 and R.sub.3, R.sub.4 and R.sub.5 denote hydrogen, or g) R.sub.1 denotes chlorine, R.sub.2, R.sub.3 and R.sub.4 denote hydrogen and R.sub.5 denotes CF.sub.3, or h) R.sub.1 denotes chlorine, R.sub.2, R.sub.4 and R.sub.5 denote hydrogen and R.sub.3 denotes CF.sub.3 and a process for their preparation from the corresponding fluorinated benzonitriles or benzyl halides by reaction with an organomagnesium compound capable of introducing methyl groups and subsequent hydrolysis, if appropriate followed by a chlorination or bromination.

  含氟基的苯乙酮，可选在CH.sub.3基上卤素化，其化学式为##STR1## 其中X代表氢、氯或溴，基团R.sub.1到R.sub.5的含义如下：a）R.sub.1和R.sub.4表示氟，R.sub.2和R.sub.5表示氯，R.sub.3表示CF.sub.3，或b）R.sub.1、R.sub.3和R.sub.4表示氟，R.sub.2和R.sub.5表示氢，或c）R.sub.1、R.sub.4和R.sub.5表示氢，R.sub.2表示氯，R.sub.3表示CF.sub.3，或d）R.sub.1、R.sub.4和R.sub.5表示氢，R.sub.2表示氯，R.sub.3表示OCF.sub.3，或e）R.sub.1、R.sub.4和R.sub.5表示氢，R.sub.2和R.sub.3表示CF.sub.3，或f）R.sub.1表示氯，R.sub.2表示CF.sub.3，R.sub.3、R.sub.4和R.sub.5表示氢，或g）R.sub.1表示氯，R.sub.2、R.sub.3和R.sub.4表示氢，R.sub.5表示CF.sub.3，或h）R.sub.1表示氯，R.sub.2、R.sub.4和R.sub.5表示氢，R.sub.3表示CF.sub.3，以及从相应的含氟苯甲腈或苄基卤化物通过与能引入甲基基团的有机镁化合物反应，随后水解，如有必要，可进行氯化或溴化的制备过程。
• NEW PROCESS FOR THE PREPARATION OF 2,4,5-TRIFLUOROPHENYLACETIC ACID
  申请人：F.I.S. -Fabrica Italiana Sintetici S.p.A.

  公开号：US20140350287A1

  公开（公告）日：2014-11-27

  The present invention relates to a new process for the preparation of 2,4,5-trifluorophenylacetic acid and salts thereof by means of new synthetic intermediates.

  本发明涉及一种利用新的合成中间体制备2,4,5-三氟苯乙酸及其盐的新工艺。