2-溴-3-氯-5-氟甲苯 | 1242339-16-7

• 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: 2-溴-3-氯-5-氟甲苯
• 中文别名: 2-溴-1-氯-5-氟-3-甲基苯
• 英文名称: 2-Bromo-1-chloro-5-fluoro-3-methylbenzene
• CAS: 1242339-16-7
• 化学式: C₇H₅BrClF
• 分子量: 223.47
• InChiKey: KTHJIXWGQDHQDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-溴-3-氯-5-氟甲苯 在 肼 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 水 、 二甲基亚砜 为溶剂， 反应 17.0h， 生成 5-bromo-4-chloro-6-methyl-1H-indazole
  参考文献：
  名称：

  SMALL MOLECULE INHIBITORS OF KRAS PROTEINS

  摘要：

  Compounds of Formula (I) or their pharmaceutically acceptable salts can inhibit the G12C, G12D, G12V, and/or G13D mutants of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.

  公开号：

  WO2024103010A1

文献信息

• Azoline Compounds for Combating Arthropod Pests
  申请人：Koradin Christopher

  公开号：US20100010058A1

  公开（公告）日：2010-01-14

  The present invention relates to azoline compounds and their salts which are useful for combating arthropod pests. The present invention also relates to a method for combating arthropod pests and to agricultural compositions for combating said pests. It has been found that these objectives can be achieved by azoline compounds of the general formulae Ia or Ib, wherein X is S, O or NR 4 ; Ar is phenyl or a 5 or 6 membered heteroaromatic ring; R 1 is H, C 1 -C 6 -alkyl, C 2 -C 6 -alkenyl, phenyl, a heteroaromatic ring etc.; R 2a , R 2b are H, CN, C 1 -C 6 -alkyl etc.; R 1 together with R 2a may also form a linear C 2 -C 4 -alkandiyl; R 3a-d are H, halogen, C 1 -C 6 -alkyl etc.

  本发明涉及用于对抗节肢动物害虫的噁唑啉化合物及其盐。本发明还涉及一种对抗节肢动物害虫的方法和用于对抗上述害虫的农业组合物。已经发现，通过通式Ia或Ib的噁唑啉化合物可以实现这些目标，其中X为S、O或NR4；Ar为苯基或5或6成员杂芳环；R1为H、C1-C6烷基、C2-C6烯基、苯基、杂芳环等；R2a、R2b为H、CN、C1-C6烷基等；R1与R2a还可以形成线性C2-C4烷二基；R3a-d为H、卤素、C1-C6烷基等。
• Pesticidal Compositions
  申请人：Kordes Markus

  公开号：US20080312085A1

  公开（公告）日：2008-12-18

  The present invention relates to 1-(Azolin-2-yl)-amino-alkane compounds, which are useful for combating insects, arachnids and nematodes. The present invention also relates to a method for combating animal pests selected from insects, arachnids and nematodes, and to agricultural compositions for combating animal pests. It has been found that animal pests can be combated by 1-(Azolin-2-yl)-amino-alkane compounds of the general formula I: wherein A is a radical of the formulae A 1 or A 2 : and wherein X is sulfur or oxygen and W, B and R 1 to R 6 are defined as in the description.

  本发明涉及1-(Azolin-2-yl)-amino-烷基化合物，其可用于对抗昆虫、蜘蛛和线虫。本发明还涉及一种用于对抗昆虫、蜘蛛和线虫等动物害虫的方法，以及用于对抗动物害虫的农业组合物。发现可以通过通式I中的1-(Azolin-2-yl)-amino-烷基化合物对动物害虫进行对抗，其中A是式A1或A2的基团：X是硫或氧，W、B和R1至R6如描述中所定义。
• [EN] PESTCIDAL COMPOSITIONS<br/>[FR] PRÉPARATIONS PESTICIDES
  申请人：BASF AG

  公开号：WO2007071585A1

  公开（公告）日：2007-06-28

  [EN] The present invention relates to 1-(Azolin-2-yl)-amino-alkane compounds, which are useful for combating insects, arachnids and nematodes. The present invention also relates to a method for combating animal pests selected from insects, arachnids and nematodes, and to agricultural compositions for combating animal pests. It has been found that animal pests can be combated by 1-(Azolin-2-yl)-amino-alkane compounds of the general formula (I) wherein A is a radical of the formulae (A¹) or (A²): and wherein X is sulfur or oxygen and W, B and R¹ to R⁶ are defined as in the description.
  [FR] La présente invention concerne des 1-(Azolin-2-yl)-amino-alcanes, qui peuvent être employés dans la lutte contre les insectes, les arachnides et les nématodes. La présente invention concerne également une méthode de lutte contre les animaux nuisibles sélectionnés parmi les insectes, les arachnides et les nématodes, ainsi que des préparations agricoles pour la lutte contre les animaux nuisibles. Il a été démontré que les animaux nuisibles peuvent être combattus par des 1-(Azolin-2-yl)-amino-alcanes de formule générale (I) où A est un radical de formule (A¹) ou (A²) : et où X représente le soufre ou l'oxygène et W, B et R1 à R6 sont tels que définis dans la description.
• [EN] AZOLINE COMPOUNDS FOR COMBATING ARTHROPOD PESTS<br/>[FR] DÉRIVÉS D'AZOLINE DANS LA LUTTE CONTRE LES ARTHROPODES NUISIBLES
  申请人：BASF AG

  公开号：WO2007147701A1

  公开（公告）日：2007-12-27

  [EN] The present invention relates to azoline compounds and their salts which are useful for combating arthropod pests. The present invention also relates to a method for combating arthropod pests and to agricultural compositions for combating said pests. It has been found that these objectives can be achieved by azoline compounds of the general formulae Ia or Ib, wherein X is S, O or NR⁴; Ar is phenyl or a 5 or 6 membered heteroaromatic ring; R¹ is H, C₁-C₆-alkyl, C₂-C₆-alkenyl, phenyl, a heteroaromatic ring etc.; R^2a, R^2b are H, CN, C₁-C₆-alkyl etc.; R¹ together with R^2a may also form a linear C₂-C₄-alkandiyl; R^3a-d are H, halogen, C₁-C₆-alkyl etc.
  [FR] La présente invention concerne des dérivés d'azoline et leurs sels, qui peuvent être employés dans la lutte contre les arthropodes nuisibles. La présente invention concerne également une méthode de lutte contre les arthropodes nuisibles et des compositions agricoles permettant de lutter contre lesdits animaux nuisibles. Il a été découvert que ces objectifs pouvaient être atteints grâce à des dérivés d'azoline de formule générale Ia ou Ib, X représentant S, O ou NR⁴ ; Ar représentant un groupement phényle ou un cycle hétéroaromatique à 5 ou 6 chaînons ; R¹ représentant H, un groupement alkyle en C₁-C₆, un groupement alcényle en C₂-C₆, un groupement phényle, un cycle hétéroaromatique, entre autres ; R^2a, R^2b représentant H, CN, un groupement alkyle en C₁-C₆, entre autres ; R¹ pouvant également former avec R^2a un alcanediyle linéaire en C₂-C₄ ; R^3a-d représentant H, un atome d'halogène, un groupement alkyle en C₁-C₆, entre autres.
• SMALL MOLECULE INHIBITORS OF KRAS PROTEINS
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2024103010A1

  公开（公告）日：2024-05-16

  Compounds of Formula (I) or their pharmaceutically acceptable salts can inhibit the G12C, G12D, G12V, and/or G13D mutants of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.