(E)-4-(3-ethoxyprop-1-enyl)benzaldehyde | 216225-61-5

• 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: (E)-4-(3-ethoxyprop-1-enyl)benzaldehyde
• 英文别名: p-(3-ethoxy-trans-1-propen-1-yl) benzaldehyde；4-[(E)-3-ethoxyprop-1-enyl]benzaldehyde
• CAS: 216225-61-5
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: FFDIYMLVSUVTDR-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  5
• 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

• 作为反应物：
  描述：

  (E)-4-(3-ethoxyprop-1-enyl)benzaldehyde 在 四氢吡咯 、 1,1'-双(二苯基膦)二茂铁 、 sodium tetrahydroborate 、 bis(η3-allyl-μ-chloropalladium(II)) 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 (E)-2-(3-(4-(hydroxymethyl)phenyl)allyl)cyclohexanone
  参考文献：
  名称：

  Hydrogen-Bond-Activated Palladium-Catalyzed Allylic Alkylation via Allylic Alkyl Ethers: Challenging Leaving Groups

  摘要：

  C-O bond cleavage of allylic alkyl ether was realized in a Pd-catalyzed hydrogen-bond-activated allylic alkylation using only alcohol solvents. This procedure does not require any additives and proceeds with high regioselectivity. The applicability of this transformation to a variety of functionalized allylic ether substrates was also investigated. Furthermore, this methodology can be easily extended to the asymmetric synthesis of enantiopure products (99% ee).

  DOI：

  10.1021/ol5000988
• 作为产物：
  描述：

  3-(4-溴苯基)丙-2-烯-1-醇 在 正丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.67h， 生成 (E)-4-(3-ethoxyprop-1-enyl)benzaldehyde
  参考文献：
  名称：

  Hydrogen-Bond-Activated Palladium-Catalyzed Allylic Alkylation via Allylic Alkyl Ethers: Challenging Leaving Groups

  摘要：

  C-O bond cleavage of allylic alkyl ether was realized in a Pd-catalyzed hydrogen-bond-activated allylic alkylation using only alcohol solvents. This procedure does not require any additives and proceeds with high regioselectivity. The applicability of this transformation to a variety of functionalized allylic ether substrates was also investigated. Furthermore, this methodology can be easily extended to the asymmetric synthesis of enantiopure products (99% ee).

  DOI：

  10.1021/ol5000988
• 作为试剂：
  描述：

  (E)-4-(3-ethoxyprop-1-enyl)benzaldehyde 、 在 (E)-4-(3-ethoxyprop-1-enyl)benzaldehyde 作用下， 生成 ONT 093
  参考文献：
  名称：

  Bioorg. Med. Chem. Lett. 2000, 10, 2603-2605

  摘要：

  DOI：

文献信息

• Use of imidazole derivatives as MDR modulators
  申请人：Taiji Biomedical, Inc.

  公开号：EP2082740A2

  公开（公告）日：2009-07-29

  The invention relates to the use of imidazole derivatives having formula (I) or their pharmaceutically acceptable salts for treating tumor cells and for increasing the sensitivity of multidrug resistant tumor cells to antitumor chemotherapeutic agents.

  本发明涉及具有式 (I) 的咪唑衍生物的用途 或其药学上可接受的盐类用于治疗肿瘤细胞和提高耐多药肿瘤细胞对抗肿瘤化疗药物的敏感性。
• 2,4,5-Trisubstituted imidazoles
  作者：Chengzhi Zhang、Sepehr Sarshar、Edmund J. Moran、Sonja Krane、Jennifer C. Rodarte、Khalid D. Benbatoul、Ross Dixon、Adnan M.M. Mjalli

  DOI：10.1016/s0960-894x(00)00521-7

  日期：2000.12

  Solution-phase combinatorial chemistry was applied to the optimization and development of clinical candidate OC144-093 (22), a novel and nontoxic modulator of P-glycoprotein mediated multidrug resistance. (C) 2000 Elsevier Science Ltd. All rights reserved.
• EP0999835A4
  申请人：——

  公开号：EP0999835A4

  公开（公告）日：2004-08-25
• IMIDAZOLE DERIVATIVES AS MDR MODULATORS
  申请人：Taiji Biomedical, Inc.

  公开号：EP0999835B1

  公开（公告）日：2009-09-09
• US5840721A
  申请人：——

  公开号：US5840721A

  公开（公告）日：1998-11-24