4-甲氧基-2-硝基三氟甲苯 | 25889-37-6

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟甲苯系列
• 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-甲氧基-2-硝基三氟甲苯
• 中文别名: 3-硝基-4-(三氟甲基)苯甲醚
• 英文名称: 4-Methoxy-2-nitro-1-(trifluoromethyl)benzene
• CAS: 25889-37-6
• 化学式: C8H6F3NO3
• 分子量: 221.13
• InChiKey: KCOIUQMLFCNNAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

文献信息

• [EN] MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO<br/>[FR] MOLÉCULES PRÉSENTANT CERTAINES UTILITÉS PESTICIDES, ET INTERMÉDIAIRES, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2021011722A1

  公开（公告）日：2021-01-21

  This disclosure relates to compounds having pesticidal utility against pests in phyla Nematoda, Arthropoda, and/or Mollusca, processes to produce such compounds and intermediates used in such processes, compositions containing such compounds, and processes of using such compounds against such pests. These compounds/molecules may be used, for example, as nematicides, acaricides, insecticides, miticides, and/or molluscicides. This document discloses compounds having the following formula (Formula One and/or Formula One-A).

  这份披露涉及具有杀虫作用的化合物，可用于鞭虫门、节肢动物门和/或软体动物门的害虫，用于生产这种化合物的过程和用于这种过程的中间体，含有这种化合物的组合物，以及使用这种化合物对抗这些害虫的过程。这些化合物/分子可以用作线虫杀剂、螨虫杀剂、杀虫剂、螨虫剂和/或软体动物杀虫剂。本文件披露了具有以下化学式的化合物（化学式一和/或化学式一-A）。
• [EN] SMALL MOLECULE INHIBITORS OF GALECTIN-3<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DE GALECTINE-3
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2019067702A9

  公开（公告）日：2019-04-25
• MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO
  申请人：Corteva Agriscience LLC

  公开号：EP3998858A1

  公开（公告）日：2022-05-25
• SMALL MOLECULE INHIBITORS OF GALECTIN-3
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20210147408A1

  公开（公告）日：2021-05-20

  The present disclosure relates to compounds of formula I, which inhibit Gal- 3, and include pharmaceutically acceptable salts, compositions comprising such compounds, and methods using and making such compounds and compositions.
• [EN] HETEROCYCLIC DERIVATIVES USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES<br/>[FR] DERIVES HETEROCYCLIQUES UTILES DANS LE TRAITEMENT DES MALADIES CARDIOVASCULAIRES
  申请人：——

  公开号：WO1994003425A2

  公开（公告）日：1994-02-17

  [EN] Compounds of formula (I), wherein m is 0, 1 or 2; n is 0, 1 or 2; R1 is hydrogen, lower alkyl, or phenyl lower alkyl; R2 is hydrogen, lower alkyl, trifluoromethyl, lower alkoxy, or phenyl lower alkoxy; R3 is hydrogen, lower alkyl, trifluoromethyl, or lower alkoxy; R4 is hydrogen, lower alkyl, or hydroxy, provided that when R4 is hydroxy both m and n are 1; R5 is hydrogen or lower alkyl; R6 is lower alkyl; W and Y are independently -SO2- or -C(O)-; X is oxygen, -S(O)p-, -CH2-, or a single bond; wherein p is 0, 1 or 2; and Z is -CH=CH- or -(CH2)q-, wherein q is 1 or 2; or a pharmaceutically acceptable acid addition salt, ester or N-oxide thereof, are useful in the treatment of cardiovascular diseases, particularly arrhythmias.
  [EN] Compounds of formula (I), wherein m is 0, 1 or 2; n is 0, 1 or 2; R<1> is hydrogen, lower alkyl, or phenyl lower alkyl; R<2> is hydrogen, lower alkyl, trifluoromethyl, lower alkoxy, or phenyl lower alkoxy; R<3> is hydrogen, lower alkyl, trifluoromethyl, or lower alkoxy; R<4> is hydrogen, lower alkyl, or hydroxy, provided that when R<4> is hydroxy both m and n are 1; R<5> is hydrogen or lower alkyl; R<6> is lower alkyl; W and Y are independently -SO2- or -C(O)-; X is oxygen, -S(O)p-, -CH2-, or a single bond; wherein p is 0, 1 or 2; and Z is -CH=CH- or -(CH2)q-, wherein q is 1 or 2; or a pharmaceutically acceptable acid addition salt, ester or N-oxide thereof, are useful in the treatment of cardiovascular diseases, particularly arrhythmias.
  [FR] L'invention se rapporte à des composés de la formule (I) dans laquelle m vaut 0, 1 ou 2; n vaut 0, 1 ou 2; R1 représente hydrogène, alkyle inférieur, ou alkyle inférieur phényle; R2 représente hydrogène, alkyle inférieur, trifluorométhyle, alcoxy inférieur, ou alcoxy inférieur phényle; R3 représente hydrogène, alkyle inférieur, trifluorométhyle, ou alcoxy inférieur; R4 représente hydrogène, alkyle inférieur, ou hydroxy, à condition que si R4 représente hydroxy, à la fois m et n valent 1; R5 représente hydrogène ou alkyle inférieur; R6 représente alkyle inférieur; W et Y représentent indépendamment -SO2- ou -C(O)-; X représente oxygène, -S(O)p-, -CH2-, ou une liaison simple; où p vaut 0, 1 ou 2; et Z représente -CH=CH- ou -(CH2)q-, où q vaut 1 ou 2; ou un sel d'addition d'acide pharmaceutiquement acceptable, un ester ou N-oxyde de celui-ci. Ces composés sont utiles dans le traitement des maladies cardiovasculaires, notamment des arythmies.