5-(4-氯苯基)-2-(三氟甲基)呋喃-3-羰酰氯 | 175276-61-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 5-(4-氯苯基)-2-(三氟甲基)呋喃-3-羰酰氯
• 英文名称: 5-(4-chloro-phenyl)-2-trifluoromethyl-furan-3-carbonyl chloride
• 英文别名: 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride；5-(4-chlorophenyl)-2-trifluoromethyl-furan-3-carbonyl chloride
• CAS: 175276-61-6
• 化学式: C₁₂H₅Cl₂F₃O₂
• mdl: MFCD00275554
• 分子量: 309.072
• InChiKey: FOMUAOFXECJYNX-UHFFFAOYSA-N

物化性质

• 熔点：
  135-137°C
• 沸点：
  378.0±42.0 °C(Predicted)
• 密度：
  1.476±0.06 g/cm3(Predicted)
• 闪点：
  >110°C

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  CORROSIVE
• 危险品标志：
  Xi,C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2932190090
• 危险品运输编号：
  UN 3261

反应信息

• 作为反应物：
  描述：

  5-(4-氯苯基)-2-(三氟甲基)呋喃-3-羰酰氯 在 吡啶 、 草酰氯 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 4-chloro-2-{[5-(4-chloro-phenyl)-2-trifluoromethyl-furan-3-carbonyl]-amino}-benzoylcyanamide
  参考文献：
  名称：

  WO2008/138917

  摘要：

  公开号：

文献信息

• [EN] INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES<br/>[FR] DÉRIVÉS D'INDOLAMIDE ET COMPOSÉS ASSOCIÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DES MALADIES NEURODÉGÉNÉRATIVES
  申请人：UNIV LEUVEN KATH

  公开号：WO2010142801A1

  公开（公告）日：2010-12-16

  This invention provides novel compounds and the novel compounds for use as a medicine, more in particular for the prevention or treatment of neurodegenerative disorders, more specifically certain neurological disorders, such as disorders collectively known as tauopathies, and disorders characterised by cytotoxic α-synuclein amyloidogenesis. The present invention also relates to the use of said novel compounds for the manufacture of medicaments useful for treating such neurodegenerative disorders. The present invention further relates to pharmaceutical compositions including said novel compounds and to methods for the preparation of said novel compounds.

  本发明提供了新型化合物，以及这些新型化合物作为药物的使用，特别是用于预防或治疗神经退行性疾病，更具体地是一些神经系统疾病，例如统称为tauopathies的疾病，以及以细胞毒性α-突触核蛋白淀粉样蛋白生成为特征的疾病。本发明还涉及将所述新型化合物用于制造用于治疗此类神经退行性疾病的药物。本发明还涉及包括所述新型化合物的药物组合物，以及制备所述新型化合物的方法。
• Solid-phase synthesis and anti-infective activity of a combinatorial library based on the natural product anisomycin
  作者：Shuhao Shi、Shirong Zhu、Samuel W. Gerritz、Kim Esposito、Ramesh Padmanabha、Wenying Li、John J. Herbst、Henry Wong、Yue Zhong Shu、Kin S. Lam、Michael J. Sofia

  DOI：10.1016/j.bmcl.2005.06.004

  日期：2005.9

  The solid-phase synthesis of a library based on the natural product anisomycin is described. The resulting library was tested against a panel of bacterial and fungal targets, and active compounds were identified in a Staphylococcus aureus whole-cell assay and an efflux-deficient fungal whole-cell assay.

  描述了基于天然产物茴香霉素的文库的固相合成。针对一组细菌和真菌靶标测试所得文库，并在金黄色葡萄球菌全细胞测定法和外排缺陷型真菌全细胞测定法中鉴定出活性化合物。
• 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1)
  申请人：Wyeth

  公开号：US20030045560A1

  公开（公告）日：2003-03-06

  This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: 1 Wherein: Ar is phenyl, naphthyl, furanyl, benzofuranyl, indolyl, pyrazolyl, oxazolyl, fluorenyl, phenylcycloalkane where the cycloalkane can be cyclopropyl, cyclobutyl, cyclopentyl or cyclohexyl and Ar can be optionally substituted by 1 to 3 groups selected from C 1 -C 6 alkyl, C 1 -C 6 alkoxy, hydroxy, phenyl-(CH 2 ) 0-6 —, phenyl-(CH 2 ) 0-6 O—, C 3 -C 6 cycloalkyl, —(CH 2 )—C 3 -C 6 cycloalkyl, halogen, C 1 -C 3 perflouroalkyl and C 1 -C 3 perfluoroalkoxy where phenyl can be substituted with from 1 to 3 groups selected from C 1 -C 6 alkyl, C 1 -C 6 alkoxy, phenyl, halogen, trifluoromethyl or trifluoromethoxy; R 1 is hydrogen, C 1 -C 6 alkyl or phenyl-(CH 2 ) 1-6 — where phenyl can be substituted with C 1 -C 6 alkyl, C 1 -C 6 alkoxy, halo, trifluoromethyl or trifluoromethoxy; R 2 and R 3 are H, C 1 -C 6 alkyl, phenyl-(CH 2 ) 0-3 —, halo and C 1 -C 3 perfluoroalkyl where phenyl can be substituted with C 1 -C 6 alkyl, C 1 -C 6 alkoxy, halo, trifluoromethyl or trifluoromethoxy; R 4 is —CHR 5 CO 2 H or —CH 2 -tetrazole where R 5 is H or benzyl; and n=0 or 1; or a pharmaceutically acceptable salt or ester form thereof.

  这项发明提供了新颖的化合物、药物组合物和治疗哺乳动物血栓性疾病的方法，这些化合物具有以下结构式：1其中：Ar为苯基、萘基、呋喃基、苯并呋喃基、吲哚基、吡唑基、噁唑基、芴基、苯基环烷烃，其中环烷烃可以是环丙基、环丁基、环戊基或环己基，Ar可以选择性地被1至3个来自C1-C6烷基、C1-C6烷氧基、羟基、苯基-(CH2)0-6—、苯基-(CH2)0-6O—、C3-C6环烷基、—(CH2)—C3-C6环烷基、卤素、C1-C3全氟烷基和C1-C3全氟烷氧基的基团取代；R1为氢、C1-C6烷基或苯基-(CH2)1-6—，其中苯基可以被C1-C6烷基、C1-C6烷氧基、卤素、三氟甲基或三氟甲氧基取代；R2和R3为H、C1-C6烷基、苯基-(CH2)0-3—、卤素和C1-C3全氟烷基，其中苯基可以被C1-C6烷基、C1-C6烷氧基、卤素、三氟甲基或三氟甲氧基取代；R4为—CHR5CO2H或—CH2-四唑基，其中R5为H或苄基；n=0或1；或其药用可接受的盐或酯形式。
• Multi-Step Synthesis by Using Modular Flow Reactors: The Preparation of YneOnes and Their Use in Heterocycle Synthesis
  作者：Ian R. Baxendale、Søren C. Schou、Jörg Sedelmeier、Steven V. Ley

  DOI：10.1002/chem.200902906

  日期：2010.1.4

  Multi‐step in flow: The palladium‐catalysed acylation of terminal alkynes for the synthesis of yneones as well as their further transformation to various heterocycles in a continuous‐flow mode is presented. Furthermore, an extension of the simple flow configuration that allows for easy batch splitting and the generation of a heterocyclic library is described (see scheme).

  多步骤中流动：末端炔烃的为炔的合成中钯催化酰化那些以及它们进一步转化为各种杂环在连续流动模式被呈现。此外，描述了简单流配置的扩展，该扩展允许简单的批拆分和杂环库的生成（请参阅方案）。
• NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS
  申请人：Nardi Antonio

  公开号：US20100137312A1

  公开（公告）日：2010-06-03

  This invention relates to novel aromatic heterocyclic carboxylic acid amide derivatives of formula (I) that are found to be potent modulators of potassium channels and, as such, are valuable candidates for the treatment of diseases or disorders as diverse as those which are responsive to the modulation of potassium channels.

  本发明涉及一种新型芳香族杂环羧酸酰胺衍生物，其化学式为(I)，发现它们是有效的钾通道调节剂，因此是治疗各种对钾通道调节敏感的疾病或疾病的有价值的候选药物。