4-(4'-trifluoromethylphenoxy)-benzyl bromide | 117114-01-9

• 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-(4'-trifluoromethylphenoxy)-benzyl bromide
• 英文别名: 1-(bromomethyl)-4-{[4-(trifluoromethyl)phenyl]oxy}benzene；1-(Bromomethyl)-4-(4-(trifluoromethyl)phenoxy)benzene；1-(bromomethyl)-4-[4-(trifluoromethyl)phenoxy]benzene
• CAS: 117114-01-9
• 化学式: C₁₄H₁₀BrF₃O
• 分子量: 331.132
• InChiKey: RXANAHTWXCJFDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氯-2-(1,1-二甲基乙基)-5-疏基-3(2H)-吡嗪酮 、 4-(4'-trifluoromethylphenoxy)-benzyl bromide 生成 2-tert.-butyl-4-chloro-5-[4'-(4"-trifluoromethyl-phenoxy)benzylthio]-3(2H)-pyridazinone
  参考文献：
  名称：

  MASAKAZU;MASALKAZU;HIROSE, MASAYOSHI;BABA, MASATOSHI;HIRATA, KIMINORI;OCH+

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(4-三氟甲基苯氧基)苯甲醛 在 sodium tetrahydroborate 、 三溴化磷 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 5.5h， 生成 4-(4'-trifluoromethylphenoxy)-benzyl bromide
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationships for Extended Side Chain Analogues of the Antitubercular Drug (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824)

  摘要：

  Novel extended side chain nitroimidazooxazine analogues featuring diverse linker groups between two aryl rings were studied as a potential strategy to improve solubility and oral activity against chronic infection by Mycobacterium tuberculosis. Both lipophilic and highly polar functionalities (e.g., carboxamide, alkylamine, piperazine, piperidine, but not sulfonamide) were well tolerated in vitro, and the hydrophilic linkers provided some solubility improvements, particularly in combination with pyridine rings. Most of the 18 compounds further assessed showed high microsomal stabilities, although in the acute infection mouse model, just one stilbene (6-fold) and two pyridine-containing acetylene derivatives (5-fold and >933-fold) gave in vivo efficacies notably superior to the clinical stage compound pretomanid (PA-824). The most efficacious analogue also displayed outstanding in vivo activity in the stringent chronic model (up to 24-fold better than the drug delamanid and 4-fold greater than our previous best phenylpyridine candidate), with favorable pharmacokinetics, including good oral bioavailability in the rat.

  DOI：

  10.1021/jm501608q

文献信息

• [EN] 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS<br/>[FR] PYRIDINES 2,6-DISUBSTITUÉES COMME ACTIVATEURS DE LA GUANYLATE CYCLASE SOLUBLE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009071504A1

  公开（公告）日：2009-06-11

  Disclosed are compounds of formula (I) wherein R1 and R2 are independently selected from hydrogen, halo, CF3, C1-4alkyl and allyl; Y represents (II), (III), (IV) or (V) wherein R3 represents CF3 or C1-4alkyl; and R3a represents CF3 or C1-4alkyl.

  公开的是式（I）的化合物，其中R1和R2分别选自氢、卤素、CF3、C1-4烷基和烯丙基；Y代表（II）、（III）、（IV）或（V），其中R3代表CF3或C1-4烷基；而R3a代表CF3或C1-4烷基。
• Nitrogen-containing heterocyclic compounds and compositions for controlling and/or preventing pests and blights (diseases)
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0339105A1

  公开（公告）日：1989-11-02

  A nitrogen-containing heterocyclic compound of the following formula: wherein D represents -N = or , E represents = N-, G represents -N =, with proviso that when G represents -N = or - the bond of G and E is double bond; and G represents the bond thereof is a single bond, but the case that D represents E represents and G represents -N = is omitted (R1, R2, R9, R10, X, Y, A and Q are specified in the specification), as well as compositions for controlling and/or preventing pests and blights, said compositions containing one or two or more of said compounds as an active ingredient.

  一种含氮杂环化合物，化学式如下：其中D代表-N = 或，E代表= N-，G代表-N =，但当G代表-N =或-G和E之间的键为双键时；G代表其键为单键，但忽略D代表E代表和G代表-N =的情况（R1、R2、R9、R10、X、Y、A和Q在说明书中有具体规定），以及用于控制和/或预防害虫和病害的组合物，该组合物含有一种或两种或更多的上述化合物作为活性成分。
• Nitrogen-containing heterocyclic compounds and compositions for
  申请人：Nissan Chemical Industries Ltd.

  公开号：US04908379A1

  公开（公告）日：1990-03-13

  A nitrogen-containing heterocyclic compound of the following formula: ##STR1## wherein D represents --N.dbd. or ##STR2## E represents .dbd.N--, ##STR3## G represents --N.dbd., ##STR4## with proviso that when G represents --N.dbd. or ##STR5## the bond of G and E is double bond; and G represents ##STR6## the bond thereof is a single bond, but the case that D represents ##STR7## E represents ##STR8## and G represents --N.dbd. is omitted (R.sup.1, R.sup.2, R.sup.9, R.sup.10, X, Y, A and Q are specified in the specification), as well as compositions for controlling and/or preventing pests and blights, said compositions containing one or two or more of said compounds as an active ingredient.

  一种含氮杂环化合物，其化学式如下：##STR1## 其中D表示--N.dbd.或##STR2## E表示.dbd.N--，##STR3## G表示--N.dbd.，##STR4## 但前提是当G表示--N.dbd.或##STR5##时，G和E之间的键是双键；当G表示##STR6##时，其键是单键，但省略了D表示##STR7##，E表示##STR8##，G表示--N.dbd.的情况（R.sup.1，R.sup.2，R.sup.9，R.sup.10，X，Y，A和Q在规范中指定），以及用于控制和/或预防害虫和病害的组合物，其含有一种或两种或更多的该化合物作为活性成分。
• [EN] 6,7 - DIHYDROIMIDAZO [2, 1 - B] [1, 3] OXAZINE BACTERICIDES<br/>[FR] BACTÉRICIDES À BASE DE 6,7-DIHYDROIMIDAZO [2,1-B][1,3] OXAZINE
  申请人：OTSUKA PHARMA CO LTD

  公开号：WO2012141338A1

  公开（公告）日：2012-10-18

  The present invention provides a novel 6,7-dihydroimidazo[2,1-b][1,3]oxazine compound that has excellent bactericidal action against tubercle bacilli, multidrug-resistant tubercle bacilli, and atypical acid-fast bacilli. Specifically, the present invention provides a compound represented by Formula (1): or a salt thereof, wherein R1 represents tetrahydroisoquinolyl, tetrahydroquinolyl, tetrahydrobenzoazepinyl, benzoxazolyl, benzothiazolyl, indolyl, isoindolinyl, naphthyl, quinolyl, phenyl, biphenylyl, or pyridyl, these groups being optionally substituted, the phenyl, biphenylyl, and pyridyl represented by R1 each being substituted directly or via a linker with at least one group selected from the group consisting of tetrahydropyridyl, diazepanyl, diazabicycloheptanyl, tetrahydrotriazolopyrazinyl, tetrahydroimidazopyrazinyl, azabicyclooctanyl, oxazolyl, piperazinyl, piperidyl, thiazolyl, and the like, each of these groups being optionally substituted; and R2 represents hydrogen or lower alkyl. The present invention further provides a pharmaceutical composition containing the above.

  本发明提供了一种新型的6,7-二氢咪唑[2,1-b][1,3]噁嗪化合物，该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型抗酸杆菌具有优异的杀菌作用。具体而言，本发明提供了一种由式(1)表示的化合物或其盐，其中R1代表四氢异喹啉基、四氢喹啉基、四氢苯并氮杂环庚基、苯并噁唑基、苯并噻唑基、吲哚基、异吲哚啉基、萘基、喹啉基、苯基、联苯基或吡啶基，这些基团可选地被取代，其中R1表示的苯基、联苯基和吡啶基通过连接基直接或经过至少一种从四氢吡啶基、二氮杂环庚基、二氮杂双环庚基、四氢三唑吡嗪基、四氢咪唑吡嗪基、氮杂双环辛基、噁唑基、哌嗪基、哌啶基、噻唑基等基团中选取的至少一种基团进行取代，这些基团可选地被取代；R2代表氢或低碳基。本发明还提供了包含上述化合物的药物组合物。
• Pyridazinone derivatives, preparation thereof, and insecticidal,
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US05026850A1

  公开（公告）日：1991-06-25

  Compounds of the formula: ##STR1## wherein R is a member selected from the group consisting of lower alkyls having from 2 to 4 carbon atoms; and chlorine and bromine. The compounds are useful as active ingredients in, e.g., insecticidal, acaricidal, nematicidal, fungicidal and expellant compositions.

  化合物的公式为：##STR1## 其中R是从由具有2到4个碳原子的低烷基，氯和溴组成的群体中选择的成员。这些化合物可用作杀虫剂、杀螨剂、杀线虫剂、杀菌剂和驱虫剂组合物中的活性成分。