(E)-3-(4-ethoxyphenyl)-2-methylacrylaldehyde

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醛
• 英文名称: (E)-3-(4-ethoxyphenyl)-2-methylacrylaldehyde
• 英文别名: (E)-3-(4-ethoxyphenyl)-2-methylprop-2-enal
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: WYUFIGXSSPBSAX-CSKARUKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异丁醛 、 苯乙醚 在 dipotassium peroxodisulfate 、 palladium diacetate 、 三氟乙酸 、 β-丙氨酸 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以72%的产率得到(E)-3-(4-ethoxyphenyl)-2-methylacrylaldehyde
  参考文献：
  名称：

  Dehydrogenative β-Arylation of Saturated Aldehydes Using Transient Directing Groups

  摘要：

  An unprecedented cross-dehydrogenative-coupling (CDC) reaction of saturated aldehyde beta-C-H with arenes to form cinnamaldehydes via the cleavages of four C-H bonds has been developed. The reaction possesses complete E-stereoselectivity for the C = C double bond. The protocol is featured by atom and step economy, mild reaction conditions, and convenient operation.

  DOI：

  10.1021/acs.orglett.9b00695

文献信息

• GEVORKYAN, A. A.;DZHANINYAN, A. A.;ARAKELYAN, A. S., ARM. XIM. ZH., 41,(1988) N0, S. 614-619
  作者：GEVORKYAN, A. A.、DZHANINYAN, A. A.、ARAKELYAN, A. S.

  DOI：——

  日期：——
• USE OF N-SUBSTITUTED (3,6-DIHYDRO)-2H-1,2-OXAZINE DERIVATIVES AS SELECTIVE MGLUR1 ANTAGONISTS
  申请人：ELI LILLY AND COMPANY LIMITED

  公开号：EP1124806A2

  公开（公告）日：2001-08-22
• US6482824B1
  申请人：——

  公开号：US6482824B1

  公开（公告）日：2002-11-19
• [EN] N-SUBSTITUTED (3,6-DIHYDRO)-2H-1,2-OXAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE MGLUR1 ANTAGONISTS<br/>[FR] DERIVES D'OXAZINE (3,6-DIHYDRO)-2H-1,2- N-SUBSTITUES, LEUR PREPARATION ET LEUR UTILISATION COMME ANTAGONISTES DE MGLUR1 SELECTIFS
  申请人：LILLY CO ELI

  公开号：WO2000026198A1

  公开（公告）日：2000-05-11

  Use of a compound of formula (I), in which R?1, R2 and R3¿ are independently hydrogen, (C¿1?-C6)alkyl, (C2-C6)alkenyl, (C3-C10)cycloalkyl, unsubstituted or substituted aryl, unsubstituted or substituted aryl (C1-C6)alkyl, unsubstituted or substituted aryl(C2-C6)alkenyl, halo, carboxy, (C1-C6)alkoxycarbonyl or (CH2)m-OH, wherein m is 1, 2 or 3; === indicates a single or double bond; X and Y are each independently hydrogen, or X and Y together represent a bridge of the formula -(CH2)n-, where n is 1 or 2, A1 and A2 are each independently an unsubstituted or substituted aryl; Z is CO-, -SO2- or -CH2-; provided that, when Z is -CO-, A1 is not 3,4,5-trimethoxyphenyl; or a pharmaceutical-acceptable salt or ester thereof, for the manufacture of a medicament for the treatment of a disorder of the CNS; and certain compounds of formula (I) per se.
• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSES PHARMACEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2000026199A2

  公开（公告）日：2000-05-11

  Use of a compound of formula (I) in which, R?1, R2 and R3¿ are independently hydrogen, (C¿1?-C6)alkyl, (C2-C6)alkenyl, (C3-C10)cycloalkyl, unsubstituted or substituted aryl, unsubstituted or substituted aryl(C1-C6)alkyl, unsubstituted or substituted aryl(c2-C6)alkenyl, halo, carboxy, (C1-C6)alkoxycarbonyl or -(CH2)m-OH wherein m is 1, 2 or 3; --- indicates a single or a double bond; X and Y are each independently hydrogen, or X and Y together represent a bridge of the formula -(CH2)n-, where n is 1 or 2; A1 and A2 are each independently an unsubstituted or substituted aryl; Z is -CO-, -SO2- or -CH2-; provided that, when Z is -CO-, A1 is not 3,4,5-trimethoxyphenyl; or a pharmaceutically-acceptable salt or ester thereof, for the manufacture of a medicament for the treatment of a condition indicating the administration of a selective mGluR1 antagonist.