[4-Chloro-3-(trifluoromethyl)phenyl] thiohypochlorite | 37903-88-1

• 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: [4-Chloro-3-(trifluoromethyl)phenyl] thiohypochlorite
• CAS: 37903-88-1
• 化学式: C₇H₃Cl₂F₃S
• 分子量: 247.068
• InChiKey: JRSLJAGPZZWMOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  13
• 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：
  25.3
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Oximcarbamate, Verfahren zu ihrer Herstellung, ihre Verwendung als Schädlingsbekämpfungsmittel, sowie Zwischenprodukte zu ihrer Herstellung und Verfahren zur Herstellung dieser Zwischenprodukte
  申请人：BAYER AG

  公开号：EP0083744A2

  公开（公告）日：1983-07-20

  Die vorliegende Erfindung betrifft die neuen Oximcarbamate den Formel (I) in welcher R1, R2, R3, R4, Az die in der Beschreibung angegebene Bedeutung besitzen. Sie werden erhalten, indem man a) Oxime der Formel (II) mit Isocyanaten der Formel oder mit Carbamoylhalogeniden der Formel (IV) umsetzt oder mit Phosgen und anschließend mit Aminen umsetzt, oder gegebenenfalls die nach den obengenannten Verfahren erhältlichen Oximcarbamate der Formel (VI) mit Sulfenchloriden der Formel umsetzt. Die Oximcarbamate der Formel (I) lassen sich als Insektizide, Akarizide und Nematizide verwenden.

  本发明涉及式 (I) 的新型肟基氨基甲酸酯 其中 R1、R2、R3、R4、Az 具有描述中给出的含义。它们通过以下方式获得 a) 式 (II) 的肟 与式 或式(IV)的氨基甲酰卤的肟 或光气，然后与胺反应 或可选择通过上述工艺获得的式 (VI) 的肟基氨基甲酸酯 与式 . 式 (I) 的肟基氨基甲酸酯可用作杀虫剂、杀螨剂和杀线虫剂。
• Heteroaryl sulfonamides and CCR2
  申请人：ChemoCentryx, Inc.

  公开号：EP2354126A1

  公开（公告）日：2011-08-10

  A compound of the formula (I), or a salt thereof: where Ar is selected from the group consisting of substituted or unsubstituted C6-10 aryl and substituted or unsubstituted 5- to 10-membered heteroaryl; R1 is selected from the group consisting of hydrogen, unsubstituted C1 alkyl, substituted or unsubstituted C3-8 alkyl, substituted or unsubstituted C2-6alkenyl, substituted or unsubstituted C2-6 alkynyl, and substituted or unsubstituted 3- to 10-membered heterocyclyl; Y1 is selected from the group consisting of -CR2a-, -N-, and -N+(O)--; Y2 is selected from the group consisting of -CR2b-, -N-, and -N+(O)--; Y3 is selected from the group consisting of -CR2c-, -N-, and -N+(O)--; R2a, R2b, and R2c are each independently selected from the group consisting of hydrogen, halogen, -CN, -C(O)R3, -CO2R, -C(O)NR3R4, -OR3, -OC(O)R3, -OC(O)NR3R4, -SR3, -S(O)R3, -S(O)2R3, -S(O)2NR3R4, -NO2, -NR3R4, -NR3C(O)R4, -NR3C(O)OR4, - NR3S(O)2R4, -NR3C(O)NR4R5, substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted C2-8 alkenyl, substituted or unsubstituted C2-8 alkynyl, substituted or unsubstituted 3- to 10-membered heterocyclyl, substituted or unsubstituted C6-10 aryl, and substituted or unsubstituted 5- to 10-membered heteroaryl; R3, R4, and R5 are each independently selected from the group consisting of hydrogen, substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted C2-8 alkenyl, substituted or unsubstituted C2-8 alkynyl, substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl, and substituted or unsubstituted 3- to 10-membered heterocyclyl; R3 and R4, R4 and R5 or R3 and R5 may, together with the atoms to which they are attached, form a substituted or unsubstituted 5-, 6-, or 7-membered ring; Y4 is selected from the group consisting of -N- and -N+(O)--; L is selected from the group consisting of a bond, -O-, -S-, -S(O)-, S(O)2-, -CR6R7-, - NR8-, -C(O)- and -NR8C(O)-; R6 and R7 are each independently selected from the group consisting of hydrogen, halogen, substituted or unsubstituted C1-8alkyl, substituted or unsubstituted 3- to 10-membered heterocyclyl, substituted or unsubstituted C2-6 alkenyl, substituted or unsubstituted C2-6alkynyl, -CN, -OR9, -NR10R11, -S(O)R9, and -S(O)2R9; R6 and R7 may, together with the carbon atom to which they are attached, form substituted or unsubstituted C3-8 cycloalkyl or substituted or unsubstituted 3- to 10-membered heterocyclic ring; R9 is selected from the group consisting of hydrogen, substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted C2-8 alkenyl, substituted or unsubstituted C2-8 alkynyl, substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl, and substituted or unsubstituted 3- to 10-membered heterocyclyl; R10 and R11 are each independently selected from the group consisting of substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted 3- to 10-membered heterocyclyl, substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl, substituted or unsubstituted C2-8 alkenyl, and substituted or unsubstituted C2-8alkynyl; R10 and R11 of -NR10R11 may, together with the nitrogen, form a substituted or unsubstituted C3-8 cycloalkyl or substituted or unsubstituted 3- to 10-membered heterocyclyl; R8 is selected from the group consisting of hydrogen, C(O)R12, S(O)2R12, CO2R12, substituted or unsubstituted C1-8alkyl, substituted or unsubstituted 3- to 10-membered heterocyclyl, substituted or unsubstituted C2-6 alkenyl, and substituted or unsubstituted C2-6 alkynyl; R12 is selected from the group consisting of substituted or unsubstituted C1-8alkyl, substituted or unsubstituted C2-6 alkenyl, substituted or unsubstituted C2-6 alkynyl, substituted or unsubstituted 3- to 1 0-membered heterocyclyl, substituted or unsubstituted C6-10 aryl, and substituted or unsubstituted 5- to 10-membered heteroaryl; Z1 is selected from the group consisting of substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl, substituted or unsubstituted 3- to 10-membered heterocyclyl, and -NR13R14; R13 and R14 are each independently selected from the group consisting of hydrogen, substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted C2-8 alkenyl, substituted or unsubstituted C2-8 alkynyl, substituted or unsubstituted 3- to 10-membered heterocyclyl, substituted or unsubstituted C6-10 aryl, substituted or unsubstituted 5- to 10-membered heteroaryl, substituted or unsubstituted (61-4 alkyl)-(C6-10 aryl), and substituted or unsubstituted (C1-4 alkyl)-(5- to 10-membered heteroaryl); R13 and R14 may, together with the nitrogen, form a substituted or unsubstituted 4-, 5-, 6-, or 7-membered heterocyclyl with the proviso that compounds of formula CC are excluded: where X14 is selected from the group consisting of -Cl, -NO2, -OCH3, -CH3, -NHC(O)CH3, and -CH2CH2-(phenyl); R65 is selected from the group consisting of hydrogen, substituted or unsubstituted C1-4 alkyl, and substituted or unsubstituted -SO2(phenyl); and R60 is selected from the group consisting of -NR61CH2CH2OR62, - NR61CH2CH2NR63R64, -NR61CH2CH2SR62, where R61 is selected from the group consisting of hydrogen and substituted or unsubstituted phenyl; R62 is selected from the group consisting of substituted or unsubstituted phenyl, and substituted or unsubstituted C1-4alkyl; and R63 and R64 are each independently selected from the group consisting of hydrogen, substituted or unsubstituted C1-8 alkyl, substituted or unsubstituted phenyl, substituted or unsubstituted -SO2(phenyl), -C(O)CH3, -C(O)C(O)OH, and -C(O)2C(CH3)3.

  本发明涉及式(I)的化合物或其盐： 其中： - Ar选自取代或未取代的C6-10芳基和取代或未取代的5-10元杂芳基； - R1选自氢、未取代的C1烷基、取代或未取代的C3-8烷基、取代或未取代的C2-6烯基、取代或未取代的C2-6炔基，以及取代或未取代的3-10元杂环基； - Y1、Y2和Y3各自独立地选自-CR2a-、-N-和-N+ (O)--； - R2a、R2b和R2c各自独立地选自氢、卤素、-CN、-C(O)R3、-CO2R、-C(O)NR3R4、-OR3、-OC(O)R3、-OC(O)NR3R4、-SR3、-S(O)R3、-S(O)2R3、-S(O)2NR3R4、-NO2、-NR3R4、-NR3C(O)R4、-NR3C(O)OR4、-NR3S(O)2R4、-NR3C(O)NR4R5，取代或未取代的C1-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、取代或未取代的3-10元杂环基、取代或未取代的C6-10芳基，以及取代或未取代的5-10元杂芳基； - R3、R4和R5各自独立地选自氢、取代或未取代的C1-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、取代或未取代的C6-10芳基、取代或未取代的5-10元杂芳基，以及取代或未取代的3-10元杂环基； - R3和R4、R4和R5或R3和R5可能与所连接的原子一起形成取代或未取代的5-、6-或7元环； - Y4选自-N-和-N+ (O)--； - L选自键、-O-、-S-、-S(O)-、-S(O)2 -、-CR6R7 -= -NR8-、-C(O)-和-NR8C(O)-； - R6和R7各自独立地选自氢、卤素、取代或未取代的C1-8烷基、取代或未取代的3-10元杂环基、取代或未取代的C2-6烯基、取代或未取代的C2-6炔基、-CN、-OR9、-NR10R11、-S(O)R9和-S(O)2R9； - R6和R7可能与所连接的碳原子一起形成取代或未取代的C3-8环烷基或取代或未取代的3-10元杂环基； - R9选自氢、取代或未取代的C1-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、取代或未取代的C6-10芳基、取代或未取代的5-10元杂芳基，以及取代或未取代的3-10元杂环基； - R10和R11各自独立地选自取代或未取代的C1-8烷基、取代或未取代的3-10元杂环基、取代或未取代的C6-10芳基、取代或未取代的5-10元杂芳基、取代或未取代的C2-8烯基，以及取代或未取代的C2-8炔基； - -NR10R11中的R10和R11可能与氮一起形成取代或未取代的C3-8环烷基或取代或未取代的3-10元杂环基； - R8选自氢、C(O)R12、S(O)2R12、CO2R12、取代或未取代的C1-8烷基、取代或未取代的3-10元杂环基、取代或未取代的C2-6烯基，以及取代或未取代的C2-6炔基； - R12选自取代或未取代的C1-8烷基、取代或未取代的C2-6烯基、取代或未取代的C2-6炔基、取代或未取代的3-10元杂环基、取代或未取代的C6-10芳基，以及取代或未取代的5-10元杂芳基； - Z1选自取代或未取代的C6-10芳基、取代或未取代的5-10元杂芳基、取代或未取代的3-10元杂环基，以及-NR13R14； - R13和R14各自独立地选自氢、取代或未取代的C1-8烷基、取代或未取代的C2-8烯基、取代或未取代的C2-8炔基、取代或未取代的3-10元杂环基、取代或未取代的C6-10芳基、取代或未取代的5-10元杂芳基、取代或未取代的(C1-4烷基)-(C6-10芳基)，以及取代或未取代的(C1-4烷基)-(5-10元杂芳基)； - R13和R14可能与氮一起形成取代或未取代的4-、5-、6-或7元杂环基； 其中化合物CC型被排除： 其中： - X14选自-Cl、- 、-O 、-CH3、-NHC(O) 和-CH2CH2-(苯基)； - R65选自氢、取代或未取代的C1-4烷基，以及取代或未取代的-SO2-苯基； - R60选自-NR61CH2CH2OR62、-NR61CH2CH2NR63R64，以及-NR61CH2CH2SR62； 其中： - R61选自氢和取代或未取代的苯基； - R62选自取代或未取代的苯基，以及取代或未取代的C1-4烷基； - R63和R64各自独立地选自氢、取代或未取代的C1-8烷基、取代或未取代的苯基、取代或未取代的-SO2-苯基、-C(O) 、-C(O)C(O)OH，以及-C(O)2C( )3。
• Substituierte Alkanyl-azolyl-oximcarbamate, Verfahren zu ihrer Herstellung und ihre Verwendung als Insektizide, Akarizide und Nematozide
  申请人：BAYER AG

  公开号：EP0005249B1

  公开（公告）日：1981-09-02
• N-sulfenylierte Oximcarbamate, Verfahren zu ihrer Herstellung und ihre Verwendung in Schädlingsbekämpfungsmitteln
  申请人：BAYER AG

  公开号：EP0058346B1

  公开（公告）日：1985-01-16
• US4117154A
  申请人：——

  公开号：US4117154A

  公开（公告）日：1978-09-26