3-Methyl-4-isopropyl-acetophenon | 58502-76-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Methyl-4-isopropyl-acetophenon
• 英文别名: 1-(3-Methyl-4-propan-2-ylphenyl)ethanone；1-(3-methyl-4-propan-2-ylphenyl)ethanone
• CAS: 58502-76-4
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: UGRIGEFDQYPYPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-Methyl-4-isopropyl-acetophenon 在 二甲酰氨基钠 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P3-sparing S1P1 agonists

  摘要：

  We have previously disclosed 1,2,4-oxadiazole derivative 3 as a potent S1P(3)-sparing S1P(1) agonist. Although compound 3 exhibits potent and manageable immunosuppressive efficacy in various in vivo models, recent studies have revealed that its 1,2,4-oxadiazole ring is subjected to enterobacterial decomposition. As provisions for unpredictable issues, a series of alternative compounds were synthesized on the basis of compound 3. Extensive SAR studies led to the finding of 1,3-thiazole 24c with the EC50 value of 3.4 nM for human S1P(1), and over 5800-fold selectivity against S1P(3). In rat on host versus graft reaction (HvGR), the ID50 value of 24c was determined at 0.07 mg/kg. The pharmacokinetics in rat and monkey is also reported. Compared to compound 3, 24c showed excellent stability against enterobacteria. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.067
• 作为产物：
  描述：

  1,4-二异丙基苯 在 chromium(VI) oxide 、 lithium aluminium tetrahydride 、 乙酸酐 、 四氯化锡 、 lithium hydride 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 3-Methyl-4-isopropyl-acetophenon
  参考文献：
  名称：

  Structural effects in solvolytic reactions. 16. The effect of conformation of the cyclopropyl, phenyl, and isopropyl substituents on their electronic contributions to the electron-deficient center

  摘要：

  DOI：

  10.1021/jo00872a026

文献信息

• Novel organic electroluminescent compounds and organic electroluminescent device using the same
  申请人：Gracel Display Inc.

  公开号：EP2098532A1

  公开（公告）日：2009-09-09

  The present invention relates to novel organic electroluminescent compounds exhibiting high luminous efficiency, and organic electroluminescent devices comprising the same. The organic electroluminescent compounds according to the invention are characterized in that they are represented by Chemical Formula (1):

  本发明涉及一种表现出高发光效率的新型有机电致发光化合物，以及包括它们的有机电致发光装置。本发明的有机电致发光化合物的特点在于它们由化学式（1）所表示：
• Novel red electroluminescent compounds and organic electroluminescent device using the same
  申请人：Gracel Display Inc.

  公开号：EP2062959A2

  公开（公告）日：2009-05-27

  The present invention relates to novel organic electroluminescent compounds exhibiting high luminous efficiency, and organic electroluminescent devices comprising the same. The organic electroluminescent compounds according to the invention are represented by Chemical Formula (1):

  本发明涉及具有高发光效率的新型有机电致发光化合物，以及由其组成的有机电致发光器件。根据本发明的有机电致发光化合物由化学式（1）表示：
• Novel compounds for electronic material and organic electronic device using the same
  申请人：Gracel Display Inc.

  公开号：EP2182002A1

  公开（公告）日：2010-05-05

  Provided are novel compounds for electronic material of high efficiency, and organic electronic devices and organic solar cells comprising the same. Specifically, the novel compounds for electronic material according to the invention are characterized in that they are represented by Chemical Formula (1): wherein, R1 and R2, or R3 and R4 are linked via (C3-C12)alkylene or (C3-C12)alkenylene to form at least one fused ring(s); provided that, if the ring formed from R3 and R4 of by linkage via alkylene or alkenylene is benzene, the ring formed from R7 and R8 of by linkage via alkylene or alkenylene is not benzene.

  本发明提供了用于高效电子材料的新型化合物，以及由其构成的有机电子器件和有机太阳能电池。具体地说，根据本发明的新型电子材料化合物的特征在于它们由化学式（1）表示： 其中，R1 和 R2 或 R3 和 R4 通过(C3-C12)亚烷基或(C3-C12)亚烯基连接，形成至少一个（多个）融合环；条件是，如果 R3 和 R4 所形成的环为(C3-C12) 的 R3 和 R4 通过亚烷基或烯基连接形成的环为苯，则 的 R7 和 R8 所形成的环不是苯。
• Royer,R. et al., Bulletin de la Societe Chimique de France, 1960, p. 1178 - 1180
  作者：Royer,R. et al.

  DOI：——

  日期：——
• Novel red electroluminescent compounds and organi electroluminescent device using the same
  申请人：Kim Jin Ho

  公开号：US20090174316A1

  公开（公告）日：2009-07-09

  The present invention relates to novel red phosphorescent compounds exhibiting high luminous efficiency, and organic electroluminescent devices comprising the same. The red phosphorescent compounds according to the invention are represented by Chemical Formula (1):