(1-methyl-2,4-cyclohexadienyl)-methyl-keton | 40572-65-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1-methyl-2,4-cyclohexadienyl)-methyl-keton
• 英文别名: 1-Acetyl-1-methyl-cyclohexa-2,4-dien；1-Acetyl-1-methylcyclohexa-2,4-dien；1-Methyl-1-acetyl-cyclohexadien-2,4；1-Methylphenylethanone；1-(1-methylcyclohexa-2,4-dien-1-yl)ethanone
• CAS: 40572-65-4
• 化学式: C₉H₁₂O
• 分子量: 136.194
• InChiKey: YGLCVUFGQHGSMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 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：

  (1-methyl-2,4-cyclohexadienyl)-methyl-keton 以 gas 为溶剂， 448.0 ℃ 、1.6 kPa 条件下， 以29%的产率得到1-(5-Methyl-1,3-cyclohexadien-1-yl)ethanone
  参考文献：
  名称：

  1,5-Wanderung von Acylgruppen在5酰基5-甲基-1,3-环己二烯†中的分解

  摘要：

  5-催化-5-甲基-1,3-环己二烯的热解中未催化的正向性1,5-酰基转移

  DOI：

  10.1002/hlca.19810640318
• 作为产物：
  描述：

  1-(1-甲基环己-3-烯-1-基)乙酮 在 N-溴代丁二酰亚胺(NBS) 、 N,N-二乙基苯胺 、 过氧化苯甲酰 作用下， 生成 (1-methyl-2,4-cyclohexadienyl)-methyl-keton
  参考文献：
  名称：

  1,5-Wanderung von Acylgruppen在5酰基5-甲基-1,3-环己二烯†中的分解

  摘要：

  5-催化-5-甲基-1,3-环己二烯的热解中未催化的正向性1,5-酰基转移

  DOI：

  10.1002/hlca.19810640318

文献信息

• Dihydroaromatic compounds in the Diels-Alder reaction—IV
  作者：I. Alfaro、W. Ashton、K.L. Rabone、N.A.J. Rogers

  DOI：10.1016/s0040-4020(01)97003-6

  日期：1974.1

  isomerisation and Diels-Alder reaction with 2-acetoxyacrylonitrile, of 2,5-dihydroanisole, leads to the adducts (1) which may be used as starting point for the synthesis of a number of bicyclo [2,2,2] octenones, bicyclo [3,2,1] octenones and bicyclo [3,2,2] nonenones. Under similar conditions, 2,5-dihydrotoluene reacts via an ene-reaction to produce, after hydrolysis, the acetylcyclohexadiene (27). The base-catalysed

  该原位异构化和用2-乙酰氧基Diels-Alder反应，2,5- dihydroanisole的，通向加合物（1，其可被用作起点的若干的合成）二环[2,2,2]辛烯酮，双环[3,2,1]辛烯酮和双环[3,2,2] nonenones。在相似的条件下，2,5-二氢甲苯通过烯反应发生反应，水解后生成乙酰基环己二烯（27）。研究了2,5-二氢甲苯的碱催化平衡和随后的Diels-Alder反应。
• Novel red electroluminescent compounds and organic electroluminescent device using the same
  申请人：Gracel Display Inc.

  公开号：EP2066150A1

  公开（公告）日：2009-06-03

  The present invention relates to novel organic electroluminescent compounds exhibiting high luminous efficiency, and organic electroluminescent devices comprising the same. The novel 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。根据本发明的新型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。
• 5-MEMBERED HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3162798A1

  公开（公告）日：2017-05-03

  Provided is a compound having a superior acid secretion suppressive action, which shows an antiulcer activity and the like. A compound represented by the formula (I) or a salt thereof: wherein ring A is as defined in claim 1; R1 and R2 are each a cyclic group optionally having substituent(s); R3 and R4 are each H or alkyl, or R3 and R4 form, together with the adjacent N, an nitrogen-containing heterocycle; and Y is a spacer.

  本发明提供了一种化合物，它具有优异的抑制胃酸分泌的作用，并显示出抗溃疡活性等。 由式（I）代表的化合物或其盐： 其中环 A 如权利要求 1 所定义； R1和R2各自是可选具有取代基的环状基团；R3和R4各自是H或烷基，或R3和R4与相邻的N一起构成含氮杂环；以及Y是间隔物。
• [EN] NOVEL COMPOUNDS FOR ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME<br/>[FR] NOUVEAUX COMPOSÉS POUR MATÉRIAU ÉLECTRONIQUE ET DISPOSITIF ÉLECTRONIQUE ORGANIQUE UTILISANT CE MATÉRIAU
  申请人：GRACEL DISPLAY INC

  公开号：WO2011051749A1

  公开（公告）日：2011-05-05

  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 Formula (II) by linkage via alkylene or alkenylene is benzene, the ring formed from R7 and R8 of Formula (III) by linkage via alkylene or alkenylene is not benzene.