2-氯-6-三氟甲基喹噁啉 | 41213-32-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2-氯-6-三氟甲基喹噁啉
• 中文别名: 2-氯-6-(三氟甲基)喹喔啉
• 英文名称: 2-chloro-6-(trifluoromethyl)-quinoxaline
• 英文别名: 2-chloro-6-(trifluoromethyl)quinoxaline；2-chloro-6-trifluoromethylquinoxaline；2-chloro-6-trifluoromethyl-quinoxaline；2-Chlor-6-trifluormethyl-chinoxalin
• CAS: 41213-32-5
• 化学式: C₉H₄ClF₃N₂
• 分子量: 232.592
• InChiKey: PKOWPBJJCLWQMY-UHFFFAOYSA-N

物化性质

• 熔点：
  118-120 °C
• 沸点：
  262.0±35.0 °C(Predicted)
• 密度：
  1.496±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-氯-6-三氟甲基喹噁啉 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以84%的产率得到7-(Trifluoromethyl)tetrazolo[1,5-a]quinoxaline
  参考文献：
  名称：

  Makino, Kenzi; Sakata, Gozyo; Morimoto, Katsushi, Heterocycles, 1985, vol. 23, # 8, p. 2025 - 2034

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氨基-3-硝基三氟甲苯 在 palladium on activated charcoal 氢气 、 三氯氧磷 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0~60.0 ℃ 、275.79 kPa 条件下， 反应 8.0h， 生成 2-氯-6-三氟甲基喹噁啉
  参考文献：
  名称：

  Piperazinylquinoxalines with central serotoninmimetic activity

  摘要：

  Regioselective syntheses of substituted 2-chloroquinoxalines and derived 2-(1-piperazinyl)quinoxalines are described. Selectivity in regards to serotonin reuptake blocking and serotoninmimetic activities of the piperazinylquinoxalines is reported. In general, introduction of a 6-substituent into the piperazinylquinoxaline enhanced serotonin reuptake blocking activity and diminished serotoninmimetic activity. Unsubstituted and 3-hydroxypiperazinylquinoxalines had primarily serotoninmimetic activity.

  DOI：

  10.1021/jm00133a019

文献信息

• [EN] CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS<br/>[FR] CYANOGUANIDINES ET LEUR UTILISATION COMME AGENTS ANTIVIRAUX
  申请人：ABBVIE INC

  公开号：WO2014005129A1

  公开（公告）日：2014-01-03

  This disclosure relates to: (a) compounds and salts thereof that, inter alia, inhibit RSV infection and/or replication; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such intermediates, compounds, salts, and compositions; (e) methods of use of such compounds, salts, and compositions; and (f) kits comprising such compounds, salts, and compositions.

  这份披露涉及：(a) 抑制RSV感染和/或复制的化合物及其盐，等等；(b) 用于制备这些化合物和盐的中间体；(c) 包含这些化合物和盐的组合物；(d) 制备这些中间体、化合物、盐和组合物的方法；(e) 使用这些化合物、盐和组合物的方法；以及(f) 包含这些化合物、盐和组合物的试剂盒。
• SUBSTITUTED QUINOXALINE DERIVATIVES AS PEST CONTROL AGENT
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20160227779A1

  公开（公告）日：2016-08-11

  The invention relates to novel compounds of the formula (I) in which R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , Y 1 and Y 2 have the meanings given above, to a plurality of processes and intermediates for their preparation and to their use as acaricides and/or insecticides for controlling animal pests. The compounds of the formula (I) are also suitable as nematicides for plant-damaging pests and/or anthelminthics for endoparasites in humans and animals.

  这项发明涉及公式（I）的新化合物， 其中R1、R2、R3、R4、R5、R6、Y1和Y2具有上述给定的含义， 以及用于它们的制备的多种过程和中间体，以及它们作为杀螨剂和/或杀虫剂用于控制动物害虫。公式（I）的化合物也适用于作为杀线虫剂用于植物有害害虫和/或作为人类和动物内寄生虫的驱虫剂。
• [EN] AMINO-SUBSTITUTED ISOTHIAZOLES<br/>[FR] ISOTHIAZOLES AMINO-SUBSTITUÉS
  申请人：BAYER PHARMA AG

  公开号：WO2014118186A1

  公开（公告）日：2014-08-07

  The present invention relates to isothiazoles of general formula (I) which inhibit the mitotic checkpoint : in which A, R1 and R2 are as defined in the claims, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of neoplasms, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）的异噻唑类化合物，其抑制有丝分裂检查点：其中A、R1和R2如权利要求中所定义，以及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是肿瘤，作为唯一药剂或与其他活性成分组合使用。
• HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS
  申请人：Knust Henner

  公开号：US20090163485A1

  公开（公告）日：2009-06-25

  The present invention relates to compounds of formula wherein Ar, Het, R 1 and n are as defined herein and to pharmaceutically suitable acid addition salts, optically pure enantiomers, racemates or diastereomeric mixtures thereof. Compounds of formula I are orexin receptor antagonists and are useful in the treatment of sleep apnea, narcolepsy, insomnia, parasomnia, jet lag syndrome, circadian rhythms disorder and sleep disorders associated with neurological diseases.

  本发明涉及以下公式的化合物，其中Ar，Het，R1和n的定义如本文所述，并且涉及适用于药物的酸盐、光学纯对映体、拉氏体或其二对映异构体混合物。公式I的化合物是促进睡眠激素受体拮抗剂，可用于治疗睡眠呼吸暂停症、嗜睡症、失眠、睡眠障碍、时差综合症、昼夜节律紊乱和与神经系统疾病相关的睡眠障碍。
• Carbonyl acetonitrile derivative and herbicide containing it as an
  申请人：Tokuyama Soda Kabushiki Kaisha

  公开号：US05234894A1

  公开（公告）日：1993-08-10

  A cyanoketone derivative of the following formula (1) ##STR1## wherein A.sub.1 is a substituted or unsubstituted phenyl or naphthyl group or a substituted or unsubstituted heterocyclic group; each of X.sub.1, X.sub.2 and X.sub.3 is independently an oxygen or sulfur atom; each of B.sub.1, B.sub.2 and B.sub.3 is independently a hydrogen atom or C.sub.1 -C.sub.6 -alkyl group; each of Y.sub.1, Y.sub.2, Y.sub.3 and Y.sub.4 is independently a hydrogen atom, a halogen atom or a C.sub.1 -C.sub.6 -alkyl group; and A.sub.2 is a substituted or unsubstituted group selected from the group consisting of a C.sub.1 -C.sub.6 -alkyl group, a C.sub.2 -C.sub.6 -alkenyl group, a C.sub.2 -C.sub.6 -alkynyl group, a C.sub.1 -C.sub.4 -alkoxy group, a C.sub.1 -C.sub.4 -alkylthio group, a C.sub.1 -C.sub.6 -alkoxycarbonyl group, an unsubstituted benzoyl group, a halogen-substituted benzoyl group, a cyano group or a group as defined in A.sub.1 ; provided that when B.sub.1 is a hydrogen atom and B.sub.2 is alkyl, the compound of the formula (1) is an R- or S-enantiomer with regard to asymmetric carbon to which B.sub.1 and B.sub.2 are bonded, or a mixture of these enantiomers. The cyanoketone derivative has a remarkably high herbicidal activity and is effective against a variety of gramineous weeds.

  以下式子（1）的一种氰基酮衍生物：##STR1## 其中A.sub.1是取代或未取代的苯基或萘基或取代或未取代的杂环基；X.sub.1，X.sub.2和X.sub.3中的每一个都是独立的氧原子或硫原子；B.sub.1，B.sub.2和B.sub.3中的每一个都是独立的氢原子或C.sub.1-C.sub.6烷基；Y.sub.1，Y.sub.2，Y.sub.3和Y.sub.4中的每一个都是独立的氢原子、卤素原子或C.sub.1-C.sub.6烷基；A.sub.2是从C.sub.1-C.sub.6烷基、C.sub.2-C.sub.6烯基、C.sub.2-C.sub.6炔基、C.sub.1-C.sub.4烷氧基、C.sub.1-C.sub.4烷硫基、C.sub.1-C.sub.6烷氧羰基、未取代苯甲酰基、卤素取代苯甲酰基、氰基或按照A.sub.1定义的基中选择的取代或未取代基；但是当B.sub.1是氢原子且B.sub.2是烷基时，式（1）的化合物是与B.sub.1和B.sub.2键合的不对称碳原子相关的R-或S-对映体，或这些对映体的混合物。该氰基酮衍生物具有非常高的除草活性，并且对各种禾本科杂草有效。