1-(3,5-二氟苯基)-2,2,5,5-四甲基-1-氮杂-2,5-二硅杂环戊烷 | 149524-30-1

• 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: 1-(3,5-二氟苯基)-2,2,5,5-四甲基-1-氮杂-2,5-二硅杂环戊烷
• 英文名称: N,N-<1,2-Bis(dimethylsilyl)ethane>-3,5-difluoroaniline
• 英文别名: 1-(3,5-difluorophenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine；1-(3,5-difluorophenyl)-2,2,5,5-tetramethyl-1-aza-2,5-disilacyclopentane；N,N-[1,2-bis(dimethylsilyl)ethane]-3,5-difluoroaniline
• CAS: 149524-30-1
• 化学式: C₁₂H₁₉F₂NSi₂
• 分子量: 271.457
• InChiKey: SBVIYEWIDBTINC-UHFFFAOYSA-N

物化性质

• 沸点：
  272.4±50.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3,5-二氟苯基)-2,2,5,5-四甲基-1-氮杂-2,5-二硅杂环戊烷 在 盐酸 、 甲醇 、 copper(l) iodide 、 正丁基锂 、 N,N-二异丙基乙胺 、 肼 、 sodium nitrite 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 水 、 乙腈 为溶剂， 反应 39.5h， 生成 C-{1-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3,5-difluoro-phenyl]-1H-[1,2,3]triazol-4-yl}-methylamine
  参考文献：
  名称：

  [EN] NOVEL ANTIINFECTIVE COMPOUNDS AND THEIR PHARMACEUTICAL COMPOSITIONS
  [FR] NOUVEAUX COMPOSES ANTI-INFECTIEUX ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT

  摘要：

  公开号：

  WO2004106329A3
• 作为产物：
  描述：

  3,5-二氟苯胺 生成 1-(3,5-二氟苯基)-2,2,5,5-四甲基-1-氮杂-2,5-二硅杂环戊烷
  参考文献：
  名称：

  Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings

  摘要：

  该化合物的公式为（I）：其中X是NR.sub.1，S（O）.sub.g或O；R.sub.1是H，C.sub.1-6烷基，可选地取代一个或多个OH，CN或卤素，或R.sub.1是-（CH.sub.2）.sub.h-芳基，-COR.sub.1-1，-COOR.sub.1-2，-CO-（CH.sub.2）.sub.h-COR.sub.1-1，C.sub.1-6烷基磺酰基，-SO.sub.2-（CH.sub.2）.sub.h-芳基，或-（CO）.sub.i-Het；R.sub.2是H，C.sub.1-6烷基，-（CH.sub.2）.sub.h-芳基或卤素；R.sub.3和R.sub.4相同或不同，是H或卤素；R.sub.5是H，C.sub.1-12烷基，可选地取代一个或多个卤素，C.sub.3-12环烷基，C.sub.1-6烷氧基。这些化合物是有用的抗菌剂。

  公开号：

  US05968962A1

文献信息

• Antibiotic oxazolidinone derivatives
  申请人：Zeneca Ltd.

  公开号：US06365751B1

  公开（公告）日：2002-04-02

  The invention concerns a compound of the formula (I): wherein, for example: R1 is of the formula —NHC(═O)Rb wherein Rb is, for example, (1-4C)alkyl; R2 and R3 are hydrogen or fluoro; R2 and R3 are hydrogen or fluoro; D is O; R4 and R5 are hydrogen, (1-4C)alkyl or AR-oxymethyl; AR is phenyl or phenyl(1-4C)alkyl; R6 is hydrogen; >A—B— is of the formula >C═C(Ra)—, >CHCHRa—, or >C(OH)CHRa— (> represents two single bonds) wherein Ra is hydrogen or (1-4C)alkyl; and pharmaceutically-acceptable salts thereof; processes for their preparation; pharmaceutical compositions containing them and their use as antibacterial agents.

  本发明涉及如下公式(I)的化合物：其中，例如：R1是如下公式的形式—NHC(═O)Rb，其中Rb例如为(1-4C)烷基；R2和R3是氢或氟；D是氧；R4和R5是氢，(1-4C)烷基或AR-甲氧基甲基；AR是苯基或苯基(1-4C)烷基；R6是氢；>A—B—是如下公式的形式>C═C(Ra)—, >CHCHR_a—, 或 >C(OH)CHR_a—（>代表两个单键），其中Ra是氢或(1-4C)烷基；以及它们的药用可接受盐；它们的制备过程；含有它们的药物组合物以及它们作为抗菌剂的用途。
• [EN] OXAZOLIDINONE COMPOUNDS AND METHODS OF USE THEREOF AS ANTIBACTERIAL AGENTS<br/>[FR] COMPOSÉS D'OXAZOLIDINONE ET LEURS PROCÉDÉS D'UTILISATION COMME AGENTS ANTIBACTÉRIENS
  申请人：MERCK SHARP & DOHME

  公开号：WO2020147504A1

  公开（公告）日：2020-07-23

  The present invention discloses oxazolidinone compounds of Formula (I): (I) and pharmaceutically acceptable salts thereof, wherein A and E, are as defined herein. The present invention also relates to compositions which comprise at least one oxazolidinone compound of the invention. The invention also provides methods for inhibiting growth of mycobacterial cells as well as a method of treating mycobacterial infections by Mycobacterium tuberculosis comprising administering a therapeutically effective amount of an oxazolidinone of the invention and/or a pharmaceutically acceptable salt thereof, or a composition comprising such compound and/ or salt.

  本发明揭示了公式（I）的噁唑烷酮化合物及其药学上可接受的盐，其中A和E的定义如本文所述。本发明还涉及包含本发明至少一种噁唑烷酮化合物的组合物。本发明还提供了一种抑制分枝杆菌细胞生长的方法，以及一种治疗结核分枝杆菌感染的方法，该方法包括向患者施用本发明的噁唑烷酮化合物和/或药学上可接受的盐，或包含该化合物和/或盐的组合物的治疗有效量。
• Regioselective Metalation of Fluoroanilines. An Application to the Synthesis of Fluorinated Oxazolidinone Antibacterial Agents
  作者：Kevin C. Grega、Michael R. Barbachyn、Steven J. Brickner、Stephen A. Mizsak

  DOI：10.1021/jo00121a050

  日期：1995.8

  The regioselective para lithiation of 3-fluoro- and 3,5-dinuoroaniline stabase derivatives is described. These intermediates were subjected to a reaction sequence involving (1) transmetalation with zinc chloride, (2) a palladium-catalyzed coupling reaction with various pyridyl bromides, and (3) removal of the stabase protecting group, to generate fluorinated 4-(pyridyl)anilines. These compounds are. key subunits for the synthesis of selected fluorinated oxazolidinone antibacterial agents. Representative applications of these intermediates to the synthesis of three potent oxazolidinone analogues are discussed. One facet of the described procedure involves a unique iodocyclocarbamation reaction featuring a pyridine additive.
• Phenyloxazolidinones having a C-C bond to 4-8 membered heterocyclic rings
  申请人：Pharmacia & Upjohn Company

  公开号：US05968962A1

  公开（公告）日：1999-10-19

  A compound of the formula (I): ##STR1## or pharmaceutical acceptable salts thereof wherein X is NR.sub.1, S(O).sub.g, or O; R.sub.1 is H, C.sub.1-6 alkyl optionally substituted with one or more OH, CN, or halo, or R.sub.1 is --(CH.sub.2).sub.h -- aryl, --COR.sub.1--1, --COOR.sub.1-2, --CO--(CH.sub.2).sub.h --COR.sub.1--1, C.sub.1-6 alkyl sulfonyl, --SO.sub.2 --(CH.sub.2).sub.h --aryl, or --(CO).sub.i --Het; R.sub.2 is H, C.sub.1-6 alkyl, --(CH.sub.2).sub.h --aryl, or halo; R.sub.3 and R.sub.4 are the same or different and are H or halo; R.sub.5 is H, C.sub.1-12 alkyl optionally substituted with one or more halo, C.sub.3-12 cycloalkyl, C.sub.1-6 alkoxy. The compounds are useful antimicrobial agents.

  该化合物的公式为（I）：其中X是NR.sub.1，S（O）.sub.g或O；R.sub.1是H，C.sub.1-6烷基，可选地取代一个或多个OH，CN或卤素，或R.sub.1是-（CH.sub.2）.sub.h-芳基，-COR.sub.1-1，-COOR.sub.1-2，-CO-（CH.sub.2）.sub.h-COR.sub.1-1，C.sub.1-6烷基磺酰基，-SO.sub.2-（CH.sub.2）.sub.h-芳基，或-（CO）.sub.i-Het；R.sub.2是H，C.sub.1-6烷基，-（CH.sub.2）.sub.h-芳基或卤素；R.sub.3和R.sub.4相同或不同，是H或卤素；R.sub.5是H，C.sub.1-12烷基，可选地取代一个或多个卤素，C.sub.3-12环烷基，C.sub.1-6烷氧基。这些化合物是有用的抗菌剂。
• [EN] NOVEL ANTIINFECTIVE COMPOUNDS AND THEIR PHARMACEUTICAL COMPOSITIONS<br/>[FR] NOUVEAUX COMPOSES ANTI-INFECTIEUX ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：REDDYS LAB LTD DR

  公开号：WO2004106329A3

  公开（公告）日：2005-01-13