4-氟-2-甲基苯胺盐酸盐 | 57491-46-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氟-2-甲基苯胺盐酸盐
• 英文名称: 4-fluoro-2-methylaniline hydrochloride
• 英文别名: 2-amino-5-fluorotoluene hydrochloride；4-fluoro-2-methylaniline;hydrochloride
• CAS: 57491-46-0
• 化学式: C₇H₈FN*ClH
• 分子量: 161.607
• InChiKey: DNLQVGYITFHFBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.14
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-adamantylcyanamide 、 4-氟-2-甲基苯胺盐酸盐 以 乙腈 为溶剂， 生成 N-Adamantan-1-yl-N'-(4-fluoro-2-methyl-phenyl)-guanidine
  参考文献：
  名称：

  Radiosynthesis of .sigma. receptor ligands for positron emission tomography: carbon-11 and fluorine-18 labeled guanidines

  摘要：

  A series of analogues of the potent and selective sigma-receptor ligand 1,3-ditolylguanidine (DTG) were synthesized and demonstrated to have high affinity for the sigma-receptor as measured by in vitro [H-3]DTG displacement studies using guinea pig brain tissue. Three of these 1-aryl-3-(1-adamantyl)guanidines were radiolabeled - two with carbon-11 and one with fluorine-18. Radiochemical yields and specific activities were sufficient for these radiotracers to be used in positron emission tomography imaging of the haloperidol-sensitive sigma-receptor.

  DOI：

  10.1021/jm00110a017
• 作为产物：
  描述：

  5-氟-2-硝基甲苯 在 palladium on charcoal catalyst 盐酸 作用下， 以 乙酸乙酯 为溶剂， 生成 4-氟-2-甲基苯胺盐酸盐
  参考文献：
  名称：

  4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts

  摘要：

  这项发明涉及由以下式 embraced 的新型 4-苯基环己胺 ##SPC1## 其中 .about. 是一个通用表达式，表示顺式和反式立体构型及其混合物；R 选自由一至四个碳原子的烷基、氟、氯、溴、三氟甲基、硝基和由一至四个碳原子组成的烷氧基；R' 和 R.sup.1 选自由一至四个碳原子的氢和烷基；R.sup.2 选自由一至四个碳原子的氢、烷基、由一至三个碳原子组成的烷酰基、由一至三个碳原子组成的烷基磺酰基、由六至十个碳原子组成的芳基磺酰基、烷基氨基甲酰，其中烷基由一至四个碳原子组成，烷氧羰基，其中烷基由一至四个碳原子组成，环中单取代芳酰基烷基，其中取代基的含义与上述的 R 相同，芳基由六至十个碳原子，烷基由一至六个碳原子，以及双(环中单取代)芳基烷基，其中取代基的含义与上述的 R 相同，芳基由六至十个碳原子，烷基由一至六个碳原子；当 R.sup.1 和 R.sup.2 与 --N< 结合在一起时，是选自未取代和单取代吡咯烷基、哌啶基、六亚甲基基氮、吗啉基和哌嗪基的饱和杂环氨基基团；以及其酸盐。它还涉及制备上述新型化合物 (1) 及其新型衍生物的中间体和过程。将这些新型化合物 (1) 系统地给人类和动物静脉注射会抑制其中枢神经系统。

  公开号：

  US03960961A1

文献信息

• Cobalt‐Catalyzed Deoxygenative Hydroboration of Nitro Compounds and Applications to One‐Pot Synthesis of Aldimines and Amides
  作者：Kristina A. Gudun、Raikhan Zakarina、Medet Segizbayev、Davit Hayrapetyan、Ainur Slamova、Andrey Y. Khalimon

  DOI：10.1002/adsc.202101043

  日期：2022.2

  The commercially available and bench-stable Co(acac)2 ligated with bis[(2-diphenylphosphino)phenyl] ether (dpephos) was employed for selective room temperature hydroboration of nitro compounds with HBPin (TOF up to 4615 h−1), tolerating halide, hydroxy, amino, ether, ester, lactone, amide and heteroaromatic functionalities. These reactions offered a direct access to a variety of N-borylamines RN(H)BPin

  使用与双[(2-二苯基膦基)苯基]醚 (dpephos) 连接的可商购且台式稳定的 Co(acac) 2与 HBPin 选择性室温硼氢化硝基化合物（TOF 高达 4615 h -1），耐受卤化物、羟基、氨基、醚、酯、内酯、酰胺和杂芳族官能团。这些反应提供了直接获得各种原位N-硼胺 RN(H)BPin的途径用醛和羧酸处理产生一系列醛亚胺和仲羧酰胺，而不需要脱水和/或偶联剂。以顺序一锅法将这些转化结合起来，可以从容易获得且廉价的硝基化合物直接和选择性地合成醛亚胺和仲羧酰胺。
• CH594614
  申请人：——

  公开号：——

  公开（公告）日：——
• US3960961A
  申请人：——

  公开号：US3960961A

  公开（公告）日：1976-06-01
• 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts
  申请人：The Upjohn Company

  公开号：US03960961A1

  公开（公告）日：1976-06-01

  This invention relates to novel 4-phenylcyclohexylamines embraced by the formula ##SPC1## Wherein .about. is a generic expression denoting cis and trans stereoconfiguration and mixtures thereof; R is selected from the group consisting of alkyl of from one through four carbon atoms, fluorine, chlorine, bromine, trifluoromethyl, nitro and alkoxy of from one through four carbon atoms; R' and R.sup.1 are selected from the group consisting of hydrogen and alkyl of from one through four carbon atoms; R.sup.2 is selected from the group consisting of hydrogen, alkyl of from one through four carbon atoms, alkanoyl of from one through three carbon atoms, alkylsulfonyl of from one through three carbon atoms, arylsulfonyl of from six through ten carbon atoms, alkylcarbamoyl wherein alkyl is from one through four carbon atoms, alkoxycarbonyl wherein alkyl is from one through four carbon atoms, ring monosubstituted aroylalkyl wherein the substituents have the same meaning as R, above, aryl is from six through ten carbon atoms and alkyl is from one through six carbon atoms and bis (ring monosubstituted) arylalkyl wherein the substituents have the same meaning as R, above, aryl is from six through ten carbon atoms and alkyl is from one through six carbon atoms; R.sup.1 and R.sup.2 when taken together with --N< is a saturated heterocyclic amino radical selected from the group consisting of unsubstituted and monosubstituted pyrrolidino, piperidino, hexamethylenimino, morpholino and piperazino; and an acid addition salt thereof. It also relates to intermediates and processes for the preparation of the aforesaid novel compounds (1) and novel derivatives thereof. The systemic administration to humans and animals of the novel compounds (1) depresses their central nervous systems.

  这项发明涉及由以下式 embraced 的新型 4-苯基环己胺 ##SPC1## 其中 .about. 是一个通用表达式，表示顺式和反式立体构型及其混合物；R 选自由一至四个碳原子的烷基、氟、氯、溴、三氟甲基、硝基和由一至四个碳原子组成的烷氧基；R' 和 R.sup.1 选自由一至四个碳原子的氢和烷基；R.sup.2 选自由一至四个碳原子的氢、烷基、由一至三个碳原子组成的烷酰基、由一至三个碳原子组成的烷基磺酰基、由六至十个碳原子组成的芳基磺酰基、烷基氨基甲酰，其中烷基由一至四个碳原子组成，烷氧羰基，其中烷基由一至四个碳原子组成，环中单取代芳酰基烷基，其中取代基的含义与上述的 R 相同，芳基由六至十个碳原子，烷基由一至六个碳原子，以及双(环中单取代)芳基烷基，其中取代基的含义与上述的 R 相同，芳基由六至十个碳原子，烷基由一至六个碳原子；当 R.sup.1 和 R.sup.2 与 --N< 结合在一起时，是选自未取代和单取代吡咯烷基、哌啶基、六亚甲基基氮、吗啉基和哌嗪基的饱和杂环氨基基团；以及其酸盐。它还涉及制备上述新型化合物 (1) 及其新型衍生物的中间体和过程。将这些新型化合物 (1) 系统地给人类和动物静脉注射会抑制其中枢神经系统。
• Radiosynthesis of .sigma. receptor ligands for positron emission tomography: carbon-11 and fluorine-18 labeled guanidines
  作者：Alan A. Wilson、Robert F. Dannals、Hayden T. Ravert、Mark S. Sonders、Eckard Weber、Henry N. Wagner

  DOI：10.1021/jm00110a017

  日期：1991.6

  A series of analogues of the potent and selective sigma-receptor ligand 1,3-ditolylguanidine (DTG) were synthesized and demonstrated to have high affinity for the sigma-receptor as measured by in vitro [H-3]DTG displacement studies using guinea pig brain tissue. Three of these 1-aryl-3-(1-adamantyl)guanidines were radiolabeled - two with carbon-11 and one with fluorine-18. Radiochemical yields and specific activities were sufficient for these radiotracers to be used in positron emission tomography imaging of the haloperidol-sensitive sigma-receptor.