4-(2-Fluoroethoxy)-3,5-dimethoxybenzaldehyd | 501699-82-7

• 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-(2-Fluoroethoxy)-3,5-dimethoxybenzaldehyd
• 英文别名: 4-(2-Fluoroethoxy)-3,5-dimethoxy-benzaldehyde；4-(2-fluoroethoxy)-3,5-dimethoxybenzaldehyde
• CAS: 501699-82-7
• 化学式: C₁₁H₁₃FO₄
• 分子量: 228.22
• InChiKey: RXXOWAJQDCBBTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(2-Fluoroethoxy)-3,5-dimethoxybenzaldehyd 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 0.5h， 生成 2-[4-(2-Fluoroethoxy)-3,5-dimethoxyphenyl]ethylamin
  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：

  1-溴-2-氟乙烷 、 丁香醛 在 potassium carbonate 、 potassium iodide 作用下， 以 二甲基亚砜 为溶剂， 以83 %的产率得到4-(2-Fluoroethoxy)-3,5-dimethoxybenzaldehyd
  参考文献：
  名称：

  MESCALINE DERIVATIVES WITH MODIFIED ACTION

  摘要：

  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.

  公开号：

  US20220267252A1

文献信息

• 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.
• ——
  作者：Daniel Trachsel

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

  日期：2002.9

  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.