3,5-Dimethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyd | 501699-84-9

• 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: 3,5-Dimethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyd
• 英文别名: 3,5-dimethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde
• CAS: 501699-84-9
• 化学式: C₁₁H₁₁F₃O₄
• mdl: MFCD13153704
• 分子量: 264.201
• InChiKey: OXGCCQMLWSGWET-UHFFFAOYSA-N

物化性质

• 沸点：
  310.5±42.0 °C(Predicted)
• 密度：
  1.282±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3,5-Dimethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyd 在 lithium aluminium tetrahydride 、 硫酸 、 溶剂黄146 、 正丁胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.42h， 生成 2-[3,5-Dimethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-1-methylethylamin
  参考文献：
  名称：

  摘要：

  The synthesis and the spectroscopic data of 14 novel 4-substituted mescaline derivatives are reported. Starting from syringalclehyde (=4-hydroxy-3,5-dimethoxybenzaldehyde). several ethers were obtained from reaction with a series of corresponding saturated and unsaturated alkyl- and fluoroalkyl halides. Henry-reaction with MeNO2 or EtNO2 followed to afford the nitro-olefines, which were then reduced with AlH3 to the desire(d) 2-phenylethyl- and 1-methyl-2-phenylethylamine derivatives.

  DOI：

  10.1002/1522-2675(200209)85:9<3019::aid-hlca3019>3.0.co;2-4
• 作为产物：
  描述：

  2-碘-1,1,1-三氟乙烷 、 丁香醛 在 potassium carbonate 、 potassium iodide 作用下， 以 二甲基亚砜 为溶剂， 反应 3.0h， 以50%的产率得到3,5-Dimethoxy-4-(2,2,2-trifluoroethoxy)benzaldehyd
  参考文献：
  名称：

  摘要：

  The synthesis and the spectroscopic data of 14 novel 4-substituted mescaline derivatives are reported. Starting from syringalclehyde (=4-hydroxy-3,5-dimethoxybenzaldehyde). several ethers were obtained from reaction with a series of corresponding saturated and unsaturated alkyl- and fluoroalkyl halides. Henry-reaction with MeNO2 or EtNO2 followed to afford the nitro-olefines, which were then reduced with AlH3 to the desire(d) 2-phenylethyl- and 1-methyl-2-phenylethylamine derivatives.

  DOI：

  10.1002/1522-2675(200209)85:9<3019::aid-hlca3019>3.0.co;2-4

文献信息

• [EN] SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS<br/>[FR] ISOQUINOLÉINES SUBSTITUÉES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE POLYMÉRISATION DES TUBULINES
  申请人：EXONHIT S A

  公开号：WO2011151423A1

  公开（公告）日：2011-12-08

  The present invention relates generally to substituted isoquinolines and their use as tubulin polymerization inhibitors. In particular, the invention relates to substituted isoquinolines which possess useful therapeutic activity, use of these compounds in methods of therapy and the manufacture of medicaments as well as compositions containing these compounds.

  本发明总体上涉及取代异喹啉及其作为微管蛋白聚合抑制剂的应用。特别是，本发明涉及具有有用的治疗活性的取代异喹啉，这些化合物在治疗方法、药物制造以及含有这些化合物的组合物中的应用。
• SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS
  申请人：Leblond Bertrand

  公开号：US20130131018A1

  公开（公告）日：2013-05-23

  The present invention relates generally to substituted isoquinolines and their use as tubulin polymerization inhibitors. In particular, the invention relates to substituted isoquinolines which possess useful therapeutic activity, use of these compounds in methods of therapy and the manufacture of medicaments as well as compositions containing these compounds.

  本发明涉及替代异喹啉及其作为微管聚合抑制剂的用途。具体而言，本发明涉及具有有用治疗活性的替代异喹啉，这些化合物在治疗方法中的使用以及制药和含有这些化合物的组合物的制造。
• MESCALINE DERIVATIVES WITH MODIFIED ACTION
  申请人：Mind Medicine, Inc.

  公开号：US20220267252A1

  公开（公告）日：2022-08-25

  A composition for use in substance-assisted therapy, wherein: R is hydrogen, methyl, or ethyl, and R′ is C 1 -C 5 branched or unbranched alkyl with the alkyl optionally substituted with F 1 -F 5 fluorine substituents up to a fully fluorinated alkyl, C 3 -C 6 cycloalkyl optionally and independently substituted with one or more substituents such as F 1 -F 5 fluorine and/or C 1 -C 2 alkyl, (C 3 -C 6 cycloalkyl)-C 1 -C 2 branched or unbranched alkyl optionally substituted with one or more substituents such as F 1 -F 5 fluorine and/or C 1 -C 2 alkyl, or C 2 -C 5 branched or unbranched alkenyl with E or Z vinylic, cis or trans allylic, E or Z allylic or other double bond position in relation to the attached ether function, where any of the carbons of the branched or unbranched alkenyl substituent is optionally substituted independently with one or more C 1 -C 2 alkyl, with F 1 -F 5 fluorine or with D 1 -D 5 deuteron substituents.