[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol | 282523-11-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
• 英文别名: (5-chloro-1-methyl-3-trifluoromethyl-1H-pyrazol-4-yl)-methanol；[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
• CAS: 282523-11-9
• 化学式: C₆H₆ClF₃N₂O
• mdl: MFCD00141467
• 分子量: 214.575
• InChiKey: FXYZKEABMLECRR-UHFFFAOYSA-N

物化性质

• 熔点：
  94-95°C
• 沸点：
  94-95/0.8mm

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  [5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol 在 三溴化磷 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以99.9%的产率得到4-bromomethyl-5-chloro-1-methyl-3-trifluoromethyl-1H-pyrazole
  参考文献：
  名称：

  ISOXAZOLINE DERIVATIVES AND HERBICIDES

  摘要：

  公开号：

  EP1405853B1
• 作为产物：
  描述：

  5-氯-1-甲基-3-(三氟甲基)吡唑-4-羰醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以82.2%的产率得到[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
  参考文献：
  名称：

  ISOXAZOLINE DERIVATIVES AND HERBICIDES

  摘要：

  公开号：

  EP1405853B1

文献信息

• [EN] SULFONAMIDE-HETEROCYCLIC HERBICIDAL COMPOUNDS<br/>[FR] COMPOSÉS HERBICIDES HÉTÉROCYCLIQUES DE SULFONAMIDE
  申请人：SYNGENTA LTD

  公开号：WO2015004282A1

  公开（公告）日：2015-01-15

  The present invention relates sulfonanilide derivatives of the formula (I) wherein A, W, X, Z, m, n, p, R, R1, R2, R5, R6, R11 and R12 are as defined in the specification. Furthermore, the present invention relates to herbicidal compositions comprising these compounds and to methods of using these compounds to control plant growth.

  本发明涉及式(I)的磺胺苯酰胺衍生物，其中A、W、X、Z、m、n、p、R、R1、R2、R5、R6、R11和R12如规范中定义。此外，本发明涉及包含这些化合物的除草剂组合物，以及使用这些化合物控制植物生长的方法。
• Synthesis of Sulfoximines and Sulfilimines with Aryl and Pyrazolylmethyl Substituents
  作者：Olga García Mancheño、Jonathan Dallimore、Andrew Plant、Carsten Bolm

  DOI：10.1002/adsc.200900729

  日期：2010.2.15

  Sulfoximines bearing pyrazolylmethyl and aryl substituents, which are relevant to the crop protection industry, and their corresponding sulfilimine intermediates, have been prepared from sulfide precursors by either iron-catalyzed nitrogen transfer reactions or metal-free imination procedures. Whereas the former approach leads to N-nosyl-substituted products, the latter affords N-cyano derivatives

  带有吡唑基甲基和芳基取代基的与农作物保护工业有关的亚磺酰亚胺及其相应的亚硫亚胺中间体，是由硫化物前体通过铁催化的氮转移反应或无金属的亚胺化方法制备的。前一种方法可产生N-烷基取代的产物，而后者可提供N-氰基衍生物。
• Izoxazoline derivative and herbicide
  申请人：——

  公开号：US20040259734A1

  公开（公告）日：2004-12-23

  The present invention aims at providing an isoxazoline derivative and a pharmaceutically acceptable salt thereof, both having an excellent herbicidal effect and an excellent selectivity between crop and weed. The isoxazoline derivative of the present invention is represented by the following general formula: 1 wherein R 1 is a haloalkyl group; R 2 is a hydrogen atom, an alkyl group, or the like; R 3 , R 4 , R 5 and R 6 are each a hydrogen atom, or the like; Y is a pyrrolyl group, a pyrazolyl group, an isothiazolyl group, an oxazolyl group, an imidazolyl group, a pyridazinyl group, a pyrimidinyl group, a pyrazinyl group, a triazinyl group, a triazolyl group, an oxadiazolyl group, or the like; and n is an integer of 0 to 2.

  本发明旨在提供一种具有优异的除草效果和作物与杂草之间优异选择性的异噁唑啉衍生物及其药学上可接受的盐。本发明的异噁唑啉衍生物由下列通式1表示：其中，R1是卤代烷基；R2是氢原子、烷基或类似物；R3、R4、R5和R6均为氢原子或类似物；Y是吡咯基、吡唑基、异硫氮杂环基、噁唑基、咪唑基、吡啶嗪基、嘧啶基、吡嗪基、三嗪基、三唑基、噁二唑基或类似物；n是0到2的整数。
• Imidazopyridines pyrimidines and triazines for enhancing cognition as gaba-a-alphas 5 receoptor subtype ligands
  申请人：Bettati Michela

  公开号：US20060040940A1

  公开（公告）日：2006-02-23

  The present invention provides a pharmaceutical composition providing a compound of formula I or a pharmaceutically acceptable salt thereof in a pharmaceutically acceptable excipient: (I), in which: X and Y independently represent CH or N, with the proviso that if X is CH then Y is also CH; R 1 represents hydrogen, hydrocarbon, a heterocyclic group, halogen, cyano, trifluoromethyl, nitro, —OR a , —SR a , —SOR a , —SO 2 R a , —SO 2 NR a R b , —NR a R b , —NR a COR b , —NR a CO 2 R b , —COR a , —CO 2 R a , —CONR a R b or CR a ═NOR b ; R a and R b independently represent hydrogen, hydrocarbon or a heterocyclic group; V and W are independently selected from H, halogen, C 11-6 alkyl, OH and C -1-6 alkoxy; Z represents H, halogen, CN, NO 2 , CF 3 , OCF 3 , CF 2 H, SCF 3 , R 2 , OR 3 , SR 3 , (CH 2 )pN(R 3 ) 2 , O(CH 2 )pN(R 3 ) 2 , SO 2 R 2 , SO 2 N(R 3 ) 2 , COR 4 , CO 2 R 3 , CON(R 3 ) 2 , NHCOR 4 , NR 1 (CH 2 ) n heteroaryl or O(CH 2 ) n heteroaryl the heteroaryl is optionally substituted by one, two or three groups chosen from C 1-6 alkyl, benzyl, (CH 2 )pN(R 3 ) 2 , halogen and CF 3 , R 1 is C 1-6 alkyl, where n is 1 or 2 and p is 0, 1 or 2; with the proviso that at least one of V, W and Z is other than H; R 2 represents C 1-6 alkyl, C 3-6 cycloalkyl, C 3-6 cycloalkylC 1-4 alkyl, C 2-6 alkenyl, C 2-6 alkynyl or heteroaryl, any of which may bear a substituent selected from halogen, CN, NO 2 , CF 3 , OCF 3 , CF 2 H, SCF 3 , OH, C 1-4 alkoxy, C 1-4 alkoxycarbonyl, amino, C 1-4 alkylamino, or di(C 1-4 alkyl)amino; R 3 represents H or R 2 ; or two R 3 groups bonded to the same nitrogen atom may complete a 5-7 membered nonaromatic heterocyclic ring; and R 4 represents R 3 or heteroaryl; the compounds are ligands for GABA-A receptors containing the alpha 5 subtype and thus are useful for enhancing cognition in individuals suffering from conditions such as Alzheimer's Disease.

  本发明提供了一种制药组合物，其中包含式I的化合物或其药学上可接受的盐，以及药学上可接受的载体：（I），其中：X和Y独立地表示CH或N，但如果X是CH，则Y也是CH；R1表示氢、碳氢化合物、杂环基、卤素、氰基、三氟甲基、硝基、—ORa、—SRa、—SORa、—SO2Ra、—SO2NRaRb、—NRaRb、—NRaCORb、—NRaCO2Rb、—CORa、—CO2Ra、—CONRaRb或CRa═NORb；Ra和Rb独立地表示氢、碳氢化合物或杂环基；V和W独立地选自H、卤素、C11-6烷基、OH和C-1-6烷氧基；Z表示H、卤素、CN、NO2、CF3、OCF3、CF2H、SCF3、R2、OR3、SR3、（CH2）pN（R3）2、O（CH2）pN（R3）2、SO2R2、SO2N（R3）2、COR4、CO2R3、CON（R3）2、NHCOR4、NR1（CH2）n杂环基或O（CH2）n杂环基，其中杂环基可选地被来自C1-6烷基、苯甲基、（CH2）pN（R3）2、卤素和CF3的一个、两个或三个基团取代，R1是C1-6烷基，其中n为1或2，p为0、1或2；但要求V、W和Z中至少有一个不是H；R2表示C1-6烷基、C3-6环烷基、C3-6环烷基C1-4烷基、C2-6烯基、C2-6炔基或杂环基，其中任何一种可以携带来自卤素、CN、NO2、CF3、OCF3、CF2H、SCF3、OH、C1-4烷氧基、C1-4烷氧羰基、氨基、C1-4烷基氨基或二（C1-4烷基）氨基的取代基；R3表示H或R2；或者两个结合到同一氮原子上的R3基团可以形成一个5-7成员非芳香杂环环；R4表示R3或杂环基；这些化合物是GABA-A受体的配体，包含α5亚型，因此对于患有阿尔茨海默病等疾病的个体，有助于增强认知能力。
• SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：Chafeev Mikhail

  公开号：US20100137299A1

  公开（公告）日：2010-06-03

  This invention is directed to spiro-oxindole compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment and/or prevention of sodium channel-mediated diseases or conditions, such as pain.

  本发明涉及螺环氧吲哚化合物，包括其立体异构体、对映异构体、互变异构体或其混合物；或其药学上可接受的盐、溶剂化合物或前药，用于治疗和/或预防钠通道介导的疾病或症状，例如疼痛。