Toluene, alpha-fluoro- | 25496-08-6

• 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: Toluene, alpha-fluoro-
• 英文别名: 1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene
• CAS: 25496-08-6
• 化学式: C21H21F3
• 分子量: 330.4
• InChiKey: PHIPLJORCYDMIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Composition and compound based on salt (s) of metals and of acid exhibiting a sulfonyl group carried by a perhalogenated carbon and their use as lewis acid
  申请人：——

  公开号：US20040116733A1

  公开（公告）日：2004-06-17

  The present invention relates to a bismuth-type promoter and its use as a Lewis acid catalyst for acylation reactions of aromatic compounds. The promoter corresponds to the formula MY &mgr;−q &xgr; q , where M represents a &mgr;-valent and at least trivalent element in the cationic form, preferably known to give Lewis acids, where Y is a monovalent anion or a monovalent anionic functional group, where &xgr; − represents an anion or an anionic functional group carrying a sulfonyl functional group carried by a perhalogenated atom, preferably a perfluorinated atom, more preferably a perfluoromethylene (—CF 2 —); and where q is an integer advantageously chosen within the closed range (comprising the limits) ranging from 1 to (&mgr;−1) (that is to say, 1 or 2 when &mgr; is 3). The present application also relates to processes for the preparation of the promoter.

  本发明涉及一种铋型促进剂及其作为芳香化合物酰化反应的路易斯酸催化剂的用途。促进剂对应于公式MY &mgr;−q &xgr; q，其中M代表阳离子形式中的一个&mgr;-价和至少三价元素，最好是已知能提供路易斯酸的元素，其中Y是一价阴离子或一价阴离子功能团，&xgr;−代表携带由全氟化原子携带的磺酰基功能团的阴离子或阴离子功能团，最好是全氟化原子，更好地是全氟甲基（—CF2—）；q是一个整数，优选地选择在从1到(&mgr;-1)的封闭范围内（包括限制）的范围内（也就是说，当&mgr;为3时为1或2）。本申请还涉及制备促进剂的方法。
• Oxidative fluorination of aromatic derivatives by copper (II) fluoride and silver (I) fluoride
  申请人：Dolbier R. William

  公开号：US20050096489A1

  公开（公告）日：2005-05-05

  The subject invention provides methods of fluorinating an aromatic or chloroaromatic compound comprising combining an aromatic compound, a chloroaromatic compound, a mixture of aromatic compounds, a mixture of chloroaromatic compounds, or a mixture of chloroaromatic and aromatic compounds and a fluorinating composition comprising at least one active fluorinating agent selected from the group consisting of CuF 2 , AgF, HgF 2 , TeF 4 , MnF 4 , FeF 3 , and CoF 2-4 and at least one support selected from the group consisting of activated carbon, ZnF 2 , CaF 2 , MgF 2 , AIF 3 , and combinations of activated carbon, ZnF 2 , CaF 2 , MgF 2 , or AlF 3 .

  该发明提供了一种氟化芳香族或氯芳香族化合物的方法，包括将芳香族化合物、氯芳香族化合物、芳香族化合物混合物、氯芳香族化合物混合物或芳香族化合物和氟化组合物结合，所述氟化组合物包括至少一种活性氟化剂，所述活性氟化剂选自CuF2、AgF、HgF2、TeF4、MnF4、FeF3和CoF2-4组成的群体，以及选自活性炭、ZnF2、CaF2、MgF2、AIF3和活性炭、ZnF2、CaF2、MgF2或AlF3组合物的至少一种载体。
• [EN] SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS<br/>[FR] INHIBITEURS SÉLECTIFS DES OXYDE NITRIQUE SYNTHASES NEURONALES
  申请人：UNIV NORTHWESTERN

  公开号：WO2021081528A1

  公开（公告）日：2021-04-29

  Disclosed are 7-phenyl-2-aminoquinoline compounds that are shown to inhibit the biological activity of neuronal nitric oxide synthases (nNOSs). Also disclosed are pharmaceutical compositions comprising the compounds, and methods of using the compounds and pharmaceutical compositions for treating a subject in need thereof. Because the disclosed compounds are shown to inhibit the activity of neuronal nitric oxide synthases (nNOSs), the disclosed compounds and pharmaceutical compositions may be utilized in methods for treating a subject having or at risk for developing a disease or disorder that is associated with nNOS activity including neurological diseases and disorders.

  揭示了一种抑制神经一氧化氮合酶（nNOSs）生物活性的7-苯基-2-氨基喹啉化合物。还揭示了包含这些化合物的药物组合物，以及使用这些化合物和药物组合物治疗需要的主体的方法。由于这些揭示的化合物被证明可以抑制神经一氧化氮合酶（nNOSs）的活性，因此这些揭示的化合物和药物组合物可以用于治疗患有或有发展与nNOS活性相关的疾病或障碍的主体的方法，包括神经系统疾病和障碍。
• Process for the Synthesis of Highly Active Binary Metal Fluoride as a Fluorinating Agent for Aromatics
  申请人：Dolbier, JR. William R.

  公开号：US20100016607A1

  公开（公告）日：2010-01-21

  The subject invention relates to a process for the synthesis of highly active binary metal fluoride system for the fluorination of aromatic compounds. Fluorinated aromatic compounds are valuable synthons for the chemical synthesis of pharmaceutical drugs and novel polymers. Fluorobenzene is used to control carbon content in steel manufacturing, is an intermediate for pharmaceuticals, pesticides and other organic compounds. Fluorobenzene is typically produced by the reaction of aniline and sodium nitrite in the presence of hydrogen fluoride. The present invention relates to a process for the synthesis of highly active binary metal fluoride system consists of copper (II) fluoride and aluminum (III) fluoride for the fluorination of aromatic compounds in gas phase and recycling of the reagent, in situ, using O 2 and HF.

  该发明涉及一种用于合成高活性二元金属氟化物体系的过程，用于芳香化合物的氟化。氟化芳香化合物是用于制药药物和新型聚合物的化学合成中有价值的合成子。氟苯被用于控制钢铁制造中的碳含量，是制药、农药和其他有机化合物的中间体。氟苯通常是通过苯胺和硝酸钠在氢氟酸存在下反应而制得。本发明涉及一种用于合成高活性二元金属氟化物体系的过程，其中包括铜(II)氟化物和铝(III)氟化物，用于在气相中对芳香化合物进行氟化，并通过在位回收试剂，使用O2和HF。
• Process for generating electrophiles from anions by reaction with electrophilic fluorinating agent
  申请人：AIR PRODUCTS AND CHEMICALS, INC.

  公开号：EP1138657A1

  公开（公告）日：2001-10-04

  A process includes substituting a substituent on a substrate. The process includes reacting a salt of an anionic form of the substituent with an electrophilic fluorination agent to provide an electrophile containing a cationic form of the substituent. The electrophile is then electrophilically substituted on the substrate. In some aspects of the process, the substrate can be an aromatic or a non-aromatic. The process can be used for a variety of reactions having electrophilic mechanisms, including halogenation, thiocyanation and nitration.

  一个过程包括在底物上替换一个取代基。该过程包括将取代基的阴离子形式的盐与亲电氟化剂反应，以提供含有取代基阳离子形式的亲电体。然后，将亲电体在底物上进行亲电取代。在该过程的某些方面，底物可以是芳香族或非芳香族。该过程可用于具有亲电机制的各种反应，包括卤代反应、硫氰化反应和硝化反应。