O-(3-fluorobenzyl)-hydroxylamine | 55418-29-6

• 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: O-(3-fluorobenzyl)-hydroxylamine
• 英文别名: O-[(3-fluorophenyl)methyl]hydroxylamine
• CAS: 55418-29-6
• 化学式: C₇H₈FNO
• 分子量: 141.145
• InChiKey: INUFRNDIHFACLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  O-(3-fluorobenzyl)-hydroxylamine 在 碳酸氢钠 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 N-(2-Amino-ethyl)-O-(3-fluoro-benzyl)-hydroxylamine
  参考文献：
  名称：

  1-Benzyloxy-4,5-dihydro-1H-imidazol-2-yl-amines, a novel class of NR1/2B subtype selective NMDA receptor antagonists

  摘要：

  Screening of the Roche compound depository led to the identification of (1-benzyloxy-4,5-dihydro-1H-imidazol-2-yl)-butyl amine 4, a structurally novel NR1/2B Subtype selective NMDA receptor antagonist. The structure-activity relationships developed in this series resulted in the discovery of a novel class of potent and selective NMDA receptor blockers displaying activity in vivo. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00713-3
• 作为产物：
  描述：

  2-(3-氟苄氧基)异吲哚-1,3-二酮 在 一水合肼 作用下， 以 甲醇 、 氯仿 为溶剂， 生成 O-(3-fluorobenzyl)-hydroxylamine
  参考文献：
  名称：

  钯(II)催化芳烃的远程元C-H功能化，通过多任务草酰胺作为连接剂实现

  摘要：

  已经建立了使用腈模板作为导向基团在含有草酰胺的芳烃中进行间位-C-H键的钯催化烯化反应。该方法表现出高间位选择性并耐受不同的官能团，例如苄氧基酰胺和烯烃底物。以良好的收率获得了所需的产物。这种方法能够对天然产物和药物进行修饰，并且也适用于克级。此外，通过选择性裂解酰胺键或O-N键，可以轻松去除定向模板，以获得间位官能化的羟胺和苯甲醇。所提出的方法对于新药的设计具有巨大的潜力。

  DOI：

  10.1021/acs.orglett.3c01101

文献信息

• [EN] NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME<br/>[FR] NOUVEAUX COMPOSES AGONISTES DE PPAR DOLLAR G(G) ET PPAR DOLLAR G(A), LEUR METHODE DE PREPARATION ET COMPOSITION PHARMACEUTIQUE LES CONTENANT
  申请人：LG LIFE SCIENCES LTD

  公开号：WO2005040127A1

  公开（公告）日：2005-05-06

  The present invention relates to novel compounds accelerating the activity of Peroxisome proliferator-activated receptor gamma (PPARϜ) and alpha (PPARα), processes of preparing the same, and pharmaceutical compositions containing the same as an active agent.

  本发明涉及一种新型化合物，可加速过氧化物酶体增殖物激活受体γ（PPARϜ）和α（PPARα）的活性，以及制备这种化合物的方法，以及含有该化合物作为活性成分的药物组合物。
• Synthesis, Crystal Structure, Herbicidal Activity, and SAR Study of Novel <i>N</i>-(Arylmethoxy)-2-chloronicotinamides Derived from Nicotinic Acid
  作者：Chen-Sheng Yu、Qiao Wang、Joanna Bajsa-Hirschel、Charles L. Cantrell、Stephen O. Duke、Xing-Hai Liu

  DOI：10.1021/acs.jafc.0c07538

  日期：2021.6.16

  animals. To discover novel natural-product-based herbicides, a series of N-(arylmethoxy)-2-chloronicotinamides were designed and synthesized. Some of the new N-(arylmethoxy)-2-chloronicotinamides exhibited excellent herbicidal activity against Agrostis stolonifera (bentgrass) at 100 μM. Compound 5f (2-chloro-N-((3,4-dichlorobenzyl)oxy)nicotinamide) possessed excellent herbicidal activity against Lemna paucicostata

  烟酸又称烟酸，是一种天然产物，广泛存在于动植物中。为了发现基于天然产物的新型除草剂，设计并合成了一系列N- (芳基甲氧基)-2-氯代烟酰胺。一些新的N -(芳基甲氧基)-2-氯烟酰胺在 100 μM 时对Agrostis stolonifera（蓼蒿）表现出优异的除草活性。化合物5F（2-氯- ñ - （（3,4-二氯苄基）氧基）烟酰胺）具有优良的除草活性对青萍（浮萍），与IC 50值 7.8 μM，而商业除草剂异恶草酮和丙苯腈的值分别为 125 和 2 μM。本文报道的构效关系可用于开发抗单子叶杂草的新型除草剂。
• N-Substituted aziridine-2-carboxylic acid immunostimulant derivatives
  申请人：Boehringer Mannheim GmbH

  公开号：US04397848A1

  公开（公告）日：1983-08-09

  The present invention provides pharmaceutical compositions containing N-substituted aziridine-2-carboxylic acid derivatives of the general formula: ##STR1## wherein X is a carboxyl, a cyano, an alkoxycarbonyl or an optionally substituted carbamoyl radical, R is a hydrogen atom, or an optionally substituted aliphatic hydrocarbon radical or cycloalkyl or cycloalkenyl radical, and R.sub.1 is a hydrogen atom or an alkyl or phenyl radical; and the pharmacologically acceptable salts thereof, in admixture with a pharmaceutical diluent or carrier. The present invention also provides, as new compounds, N-substituted aziridine-2-carboxylic acid derivatives of general formula (I') but with the proviso that when X is a carbamoyl or alkoxycarbonyl radical and R.sub.1 is a hydrogen atom, R is not a methyl, ethyl, isopropyl or benzyl radical; and the pharmacologically acceptable salts thereof, and also provides processes for the preparation of these new compounds. Furthermore, the present invention is concerned with the use of the compounds of general formula (I') and of the pharmacologically acceptable salts thereof for combating diseases associated with a weakening of the immune system.

  本发明提供了含有N-取代的环氧丙烷-2-羧酸衍生物的药物组合物，其通式为：其中X是一个羧基、氰基、烷氧羰基或可选择取代的氨基基团，R是一个氢原子，或一个可选择取代的脂肪烃基团或环烷基或环烯烃基团，R.sub.1是一个氢原子或一个烷基或苯基基团；以及与药物稀释剂或载体混合制成的药物组合物。本发明还提供了新的化合物，通式为(I')的N-取代的环氧丙烷-2-羧酸衍生物，但要求当X是一个氨基基团或烷氧羰基基团，且R.sub.1是一个氢原子时，R不是一个甲基、乙基、异丙基或苄基基团；以及其药学上可接受的盐，并提供了制备这些新化合物的方法。此外，本发明涉及通式(I')化合物及其药学上可接受的盐用于治疗与免疫系统减弱相关的疾病。
• [EN] MICROBIOCIDAL 4-(IMIDAZO[4,5-C]PYRIDIN-2-YL)-1,2,5-OXADIAZOL-3- AMINE COMPOUNDS HAVING AN OXIME GROUP IN POSITION 7<br/>[FR] COMPOSÉS 4-(IMIDAZO[4,5-C]PYRIDIN-2-YL)-1,2,5-OXADIAZOL-3-AMINE MICROBIOCIDES COMPRENANT UN GROUPE OXIME EN POSITION 7
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2016038143A1

  公开（公告）日：2016-03-17

  The present invention provides compounds of formula (I) wherein Y1, Y2, Υ3, Υ4 and Υ5 are as defined in the claims. The invention further relates to compositions which comprise these compounds and to their use in agriculture or horticulture for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi.

  本发明提供了式（I）的化合物，其中Y1、Y2、Υ3、Υ4和Υ5如权利要求所定义。本发明还涉及包含这些化合物的组合物，并且涉及它们在农业或园艺中的使用，用于控制或预防植物被植物病原微生物，特别是真菌的侵染。
• N-Substituted aziridine-2-carboxylic acid derivatives
  申请人：Boehringer Mannheim GmbH

  公开号：US04517183A1

  公开（公告）日：1985-05-14

  The present invention provides pharmaceutical compositions containing N-substituted aziridine-2-carboxylic acid derivatives of the general formula: ##STR1## wherein X is a carboxyl, a cyano, an alkoxycarbonyl or an optionally substituted carbamoyl radical, R is a hydrogen atom, an aliphatic hydrocarbon radical which is saturated or can contain one or more unsaturations and can be substituted one or more times by halogen, alkoxy, hydroxyl, dialkylamino, dialkylaminoxy, cycloalkylamino, acylamino, acyl, nitro, alkylthio, alkylsulphinyl, alkylsulphonyl, cyano, carboxyl, alkoxycarbonyl or carbamoyl or by cycloalkyl or cycloalkenyl radicals optionally carrying alkyl, alkoxy or alkoxycarbonyl radicals, optionally interrupted by hetero atoms and optionally bridged, or by an aryl, hetaryl, aryloxy, arylthio, acyloxy, alkoxycarbonylamino or isothioureido radical, or R is a cycloalkyl or cycloalkenyl radical optionally substituted by alkyl, alkoxy or oxo groups, optionally interrupted by hetero atoms and optionally bridged, or is an aryl or hetaryl radical which can be substituted one or more times by halogen, alkoxy, alkyl, hydroxyl, alkoxycarbonyl, carbamoyl, dialkylamino, cycloalkylamino, acylamino, nitro, cyano, acyl, alkylthio, alkylsulphinyl, alkylsulphonyl, sulphamoyl, phenyl, trifluoromethyl, aryloxy, acyloxy or methylenedioxy radicals and R.sub.1 is a hydrogen atom or an alkyl or phenyl radical; and the pharmacologically acceptable salts thereof, in admixture with a pharmaceutical diluent or carrier. The present invention also provides, as new compounds, N-substituted aziridine-2-carboxylic acid derivatives of general formula (I') but with the proviso that when X is a carbamoyl or alkoxycarbonyl radical and R.sub.1 is a hydrogen atom, R is not a methyl, ethyl, isopropyl or benzyl radical; and the pharmacologically acceptable salts thereof, and also provides processes for the preparation of these new compounds. Furthermore, the present invention is concerned with the use of the compounds of general formula (I') and of the pharmacologically acceptable salts thereof for combating diseases associated with a weakening of the immune system.

  本发明提供了含有N-取代的环丙烷-2-羧酸衍生物的药物组合物，其通式为：##STR1## 其中X是羧基，氰基，烷氧羰基或可选取代的氨基甲酰基基团，R是氢原子，饱和的或含有一个或多个不饱和度的脂肪烃基团，并可被卤素，烷氧基，羟基，二烷基氨基，二烷基氨氧基，环烷基氨基，酰基氨基，酰基，硝基，烷基硫基，烷基亚磺酰基，烷基磺酰基，氰基，羧基，烷氧羰基或氨基甲酰基或可选携带烷基，烷氧基或烷氧羰基基团的环烷基或环烯基基团或可选由杂原子中断和可选桥接的基团或者是芳基，杂芳基，芳氧基，芳硫基，酰氧基，烷氧羰基氨基或异硫脲基基团，或R是可选携带烷基，烷氧基或氧代基的环烷基或环烯基基团或可选由杂原子中断和可选桥接的基团或者是可选被卤素，烷氧基，烷基，羟基，烷氧羰基，氨基甲酰基，二烷基氨基，环烷基氨基，酰基氨基，硝基，氰基，酰基，烷基硫基，烷基亚磺酰基，烷基磺酰基，磺酰氨基，苯基，三氟甲基，芳基氧基，酰氧基或亚甲基二氧基基团取代的芳基或杂芳基基团，而R.sub.1是氢原子或烷基或苯基基团；以及与药物稀释剂或载体混合的药理学上可接受的盐。本发明还提供了新化合物，其为通式（I'）的N-取代环丙烷-2-羧酸衍生物，但前提是当X是氨基甲酰基或烷氧羰基基团，且R.sub.1是氢原子时，R不是甲基，乙基，异丙基或苄基基团；以及与药理学上可接受的盐，同时还提供了制备这些新化合物的方法。此外，本发明涉及使用通式（I'）化合物及其药理学上可接受的盐来对抗与免疫系统衰弱有关的疾病。