3-chloro-α-fluorobenzeneacetic acid | 74590-68-4

• 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: 3-chloro-α-fluorobenzeneacetic acid
• 英文别名: 2-(3-Chlorophenyl)-2-fluoroacetic acid
• CAS: 74590-68-4
• 化学式: C₈H₆ClFO₂
• 分子量: 188.586
• InChiKey: FPMGQESXBDVAGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氯苯乙酸 在 4-二甲氨基吡啶 、 Selectfluor 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以48%的产率得到3-chloro-α-fluorobenzeneacetic acid
  参考文献：
  名称：

  具有溶剂依赖性选择性开关的电荷转移复合物诱导的苄基氟化

  摘要：

  我们提出了一种由 Selectfluor 和 4-(二甲氨基) 吡啶之间的电荷转移复合物诱导的苯乙酸衍生物氟化的不同策略。对条件的全面调查揭示了溶剂对反应结果的关键作用。在水的存在下，通过单电子氧化的脱羧氟化反应占主导地位。非水条件导致干净地形成α-氟-α-芳基羧酸。

  DOI：

  10.1021/acs.orglett.2c02050

文献信息

• [EN] ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DÉRIVÉS FUSIONNÉS D'ACIDE CYCLOPENTANE-CARBOXYLIQUE À SUBSTITUTION ACYLAMINO, ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：SANOFI AVENTIS

  公开号：WO2009135590A1

  公开（公告）日：2009-11-12

  The present invention relates to compounds of the formula (I), wherein A, Y, Z, R3 to R6, R20 to R22 and R50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula (I), their use and pharmaceutical compositions comprising them.

  本发明涉及具有式(I)的化合物，其中A，Y，Z，R3至R6，R20至R22和R50具有权利要求中指出的含义，它们是有价值的药物活性化合物。具体而言，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体可被溶血磷脂酸（LPA）激活，也被称为LPA1受体，并且可用于治疗例如动脉粥样硬化、心肌梗死和心力衰竭等疾病。本发明还涉及制备式(I)化合物的方法、它们的使用以及包含它们的药物组合物。
• AMINOCYCLOBUTANE DERIVATIVES, METHOD FOR PREPARING SAME AND THE USE THEREOF AS DRUGS
  申请人：PIERRE FABRE MEDICAMENT

  公开号：US20150315132A1

  公开（公告）日：2015-11-05

  The present inventions concerns derivatives of aminocyclobutane, particularly as NMDA receptor antagonists, their application in human therapy and their method of preparation. These compounds correspond to the general formula (1): wherein: X 1 represents a hydrogen atom or fluorine atom; X 2 is a hydrogen atom or fluorine atom or chlorine atom; R1 represents a hydrogen atom or fluorine atom or chlorine atom or methyl group or methoxy group or cyano group; R2 represents independently or together a methyl group or ethyl group.

  目前的发明涉及氨基环丁烷的衍生物，特别是作为NMDA受体拮抗剂，在人类治疗中的应用以及它们的制备方法。这些化合物对应于一般式（1）：其中：X1代表氢原子或氟原子；X2是氢原子或氟原子或氯原子；R1代表氢原子或氟原子或氯原子或甲基基团或甲氧基团或氰基；R2独立或一起代表甲基基团或乙基基团。
• ORGANIC ELECTRONIC COMPONENT HAVING A CHARGE CARRIER GENERATION LAYER AND THE USE OF A ZINC COMPLEX AS A P-TYPE DOPANT IN CHARGE CARRIER GENERATION LAYERS
  申请人：OSRAM OLED GmbH

  公开号：US20180277778A1

  公开（公告）日：2018-09-27

  The invention relates to an organic electronic component ( 100 ) comprising at least one charge generation layer ( 5 ) which has an organically p-doped region ( 5 a ) that contains a zinc complex as a p-dopant, said zinc complex in turn containing at least one ligand L of the following structure: formula (I) wherein R1 and R2 can be oxygen, sulphur, selenium, NH or NR4 independently from one another, wherein R4 is selected from the group containing alkyl or aryl and which can be bonded to R3; and wherein R3 is selected from the group containing alkyl, long-chain alkyl, cycloalkyl, halogen alkyl, at least partially halogenated long-chain alkyl, halogen cycloalkyl, aryl, arylene, halogen aryl, heteroaryl, heteroarylene, heterocyclic alkylene, heterocycloalkyl, halogen heteroaryl, alkenyl, halogen alkenyl, alkynyl, halogen alkynyl, ketoaryl, halogen ketoaryl, ketoheteroaryl, ketoalkyl, halogen ketoalkyl, ketoalkenyl, halogen ketoalkenyl, halogen alkyl aryl, and halogen alkyl heteroaryl, wherein, for suitable groups, one or a number of non-adjacent CH2 groups can be replaced by —O—, —S—, —NH—, —NR ∘∘∘ —, —SiR ∘ R ∘∘ —, —CO—, —COO—, —COR ∘ OR ∘∘ —, —OCO—, —OCO—O—, —SO2-, —S—CO—, —CO—S—, —O—CS—, —CS—O—, —CY1=CY2 or —C≡C— independently from one another, and in such a way that O and/or S atoms are not directly bonded to one another, and are replaced optionally with aryl- or heteroaryl preferably containing between 1 and 30 C atoms (terminal CH3 groups are understood to be CH2 groups in the sense of CH2-H). The invention further relates to the use of a zinc complex as a p-dopant in charge generation layers.

  本发明涉及一种有机电子元件（100），包括至少一个具有有机p-掺杂区域（5a）的电荷生成层（5），该区域含有锌络合物作为p-掺杂剂，所述锌络合物又包含至少一个具有以下结构的配体L：式（I），其中R1和R2可以分别独立地为氧、硫、硒、NH或NR4，其中R4选自含有烷基或芳基的基团，可以与R3结合；R3选自含有烷基、长链烷基、环烷基、卤代烷基、至少部分卤代长链烷基、卤代环烷基、芳基、芳烯基、卤代芳基、杂环芳基、杂环芳烯基、杂环烷基、卤代杂环芳基、烯基、卤代烯基、炔基、卤代炔基、酮基芳基、卤代酮基芳基、酮基杂环芳基、酮基烷基、卤代酮基烷基、酮基烯基、卤代酮基烯基、卤代烷基芳基和卤代烷基杂环芳基的基团，对于适当的基团，一个或多个非相邻的CH2基团可以被—O—、—S—、—NH—、—NR∘∘∘—、—SiR∘R∘∘—、—CO—、—COO—、—COR∘OR∘∘—、—OCO—、—OCO—O—、—SO2-、—S—CO—、—CO—S—、—O—CS—、—CS—O—、—CY1=CY2或—C≡C—中的一个或多个代替，且使O和/或S原子不直接结合，可选地用含有1至30个C原子的芳基或杂环芳基替换（末端CH3基团在CH2-H的意义上被理解为CH2基团）。该发明还涉及在电荷生成层中使用锌络合物作为p-掺杂剂。
• Methods and systems for selective fluorination of organic molecules
  申请人：Fasan Rudi

  公开号：US20090061471A1

  公开（公告）日：2009-03-05

  A method and system for selectively fluorinating organic molecules on a target site wherein the target site is activated and then fluorinated are shown together with a method and system for identifying a molecule having a biological activity.

  一种用于有选择性地在目标位点上对有机分子进行氟化的方法和系统被展示，其中目标位点被激活，然后进行氟化，同时还展示了一种用于鉴定具有生物活性的分子的方法和系统。
• ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  申请人：SCHAEFER Matthias

  公开号：US20110152290A1

  公开（公告）日：2011-06-23

  The present invention relates to compounds of the formula I, wherein A, Y, Z, R 3 to R 6 , R 20 to R 22 and R 50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA 1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及式I的化合物，其中A、Y、Z、R3至R6、R20至R22和R50具有所述权利要求中指示的含义，这些化合物是有价值的药物活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也称为LPA1受体，可用于治疗动脉粥样硬化、心肌梗塞和心力衰竭等疾病。本发明还涉及制备式I化合物的方法、它们的用途以及包含它们的药物组合物。