4-(p-methylphenyl)cyclohex-3-en-1-one | 36716-74-2

• 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-(p-methylphenyl)cyclohex-3-en-1-one
• 英文别名: 4'-methyl-2,5-dihydro-[1,1'-biphenyl]-4(3H)-one；4-(p-Methylphenyl)-3-cyclohexen-1-ol；4-(p-methylphenyl)-3-cyclohexen-1-one；4-(4-Methylphenyl)-3-cyclohexen-1-one；4-(4-methylphenyl)cyclohex-3-en-1-one
• CAS: 36716-74-2
• 化学式: C₁₃H₁₄O
• 分子量: 186.254
• InChiKey: IQZARCGBOZEPSM-UHFFFAOYSA-N

物化性质

• 熔点：
  121-123 °C(Solv: hexane (110-54-3); dichloromethane (75-09-2))
• 沸点：
  318.4±31.0 °C(Predicted)
• 密度：
  1.066±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 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：

  4-(p-methylphenyl)cyclohex-3-en-1-one 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 20.0 ℃ 、400.01 kPa 条件下， 反应 6.0h， 生成 4-(4-甲基苯基)环己酮
  参考文献：
  名称：

  [EN] NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES
  [FR] NOUVELLES IMIDAZO[1,5-A]PYRIDINES SUBSTITUÉES EN POSITION 5 OU 8 EN TANT QU'INDOLEAMINE ET/OU TRYPTOPHANE 2,3-DIOXYGÉNASES

  摘要：

  本文披露了5或8-取代咪唑[1,5-a]吡啶和包含至少一种此类5或8-取代咪唑[1,5-a]吡啶的药物组合物，其制备方法以及在治疗中的用途。本文披露了某些5或8-取代咪唑[1,5-a]吡啶，可用于抑制吲哚胺2,3-二氧化酶和/或色氨酸2,3-二氧化酶，并用于治疗由此介导的疾病或疾病。

  公开号：

  WO2018054365A1
• 作为产物：
  描述：

  对溴甲苯 在 正丁基锂 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 4-(p-methylphenyl)cyclohex-3-en-1-one
  参考文献：
  名称：

  [EN] NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES
  [FR] NOUVELLES IMIDAZO[1,5-A]PYRIDINES SUBSTITUÉES EN POSITION 5 OU 8 EN TANT QU'INDOLEAMINE ET/OU TRYPTOPHANE 2,3-DIOXYGÉNASES

  摘要：

  本文披露了5或8-取代咪唑[1,5-a]吡啶和包含至少一种此类5或8-取代咪唑[1,5-a]吡啶的药物组合物，其制备方法以及在治疗中的用途。本文披露了某些5或8-取代咪唑[1,5-a]吡啶，可用于抑制吲哚胺2,3-二氧化酶和/或色氨酸2,3-二氧化酶，并用于治疗由此介导的疾病或疾病。

  公开号：

  WO2018054365A1

文献信息

• Fe(II)-mediated fragmentation of 1,4-diaryl-2,3-dioxabicyclo[2.2.2]octanes through competitive single electron transfer pathway and Lewis acid pathway
  作者：Masaki Kamata、Takashi Kudoh、Jun-ichi Kaneko、Hye-Sook Kim、Yusuke Wataya

  DOI：10.1016/s0040-4039(01)02201-8

  日期：2002.1

  1]heptanes 3a–d. On the other hand, 4-aryl-3-cyclohexenones 4c–d and p-substituted phenols 5c–d were obtained in the reactions of 1c–d with FeBr2 in CH2Cl2. A new fragmentation mechanism involving an electrophilic oxyl radical 1,5-substitution and a nucleophilic O-1,2-aryl shift is proposed based on the product analysis. In addition, the in vitro antimalarial activities of 1a–d were tested.

  1,4-二芳基-2,3-二氧杂双环[2.2.2]辛烷的反应1A - d（1A Ar为：p -FC 6 ħ 4，1B：Ar为PH，1C：Ar为p -MeC 6 ħ 4，1D：Ar为p -MeOC 6 ħ 4）与FeBr 2的THF溶液，得到1,4- diarylbutan -1,4-二酮2A - d和1,4-二芳基-7-氧杂双环〔2.2.1〕庚烷3a中- d。另一方面，4-芳基-3-环己烯酮4c – d1c - d与FeBr 2在CH 2 Cl 2中的反应制得了对位酚5c - d和对位酚。在产物分析的基础上，提出了一种新的涉及亲电子羟基1,5-取代和亲核O -1,2-芳基移位的断裂机理。此外，还测试了1a - d的体外抗疟活性。
• 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2
  申请人：Zhang Xuqing

  公开号：US20120040960A1

  公开（公告）日：2012-02-16

  The present invention comprises compounds of Formula (I): wherein: X, R 1 , R 2 , R 3 , and R 4 are as defined in the specification. The invention also comprises a method of preventing, treating or ameliorating a syndrome, disorder or disease, wherein said syndrome, disorder or disease is type II diabetes, obesity and asthma. The invention also comprises a method of inhibiting CCR2 activity in a mammal by administration of a therapeutically effective amount of at least one compound of Formula (I).

  本发明包括式（I）的化合物：其中：X，R1，R2，R3和R4如规范中所定义。该发明还涉及一种预防，治疗或改善综合症，障碍或疾病的方法，其中所述综合症，障碍或疾病是II型糖尿病，肥胖症和哮喘。该发明还包括通过给哺乳动物施用至少一种式（I）化合物的治疗有效量来抑制CCR2活性的方法。
• 5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases
  申请人：BeiGene, Ltd.

  公开号：US10882856B2

  公开（公告）日：2021-01-05

  Disclosed herein are 5 or 8-substituted imidazo [1, 5-a] pyridines and pharmaceutical compositions comprising at least one such 5 or 8-substituted imidazo [1, 5-a] pyridines, processes for the preparation thereof and the use thereof in therapy. Disclosed herein are certain 5 or 8-substituted imidazo [1, 5-a] pyridines that can be useful for inhibiting indoleamine 2, 3-dioxygenase and/or tryptophane 2, 3-dioxygenase and for treating diseases or disorders mediated thereby.

  本文公开了5或8-取代咪唑并[1，5-a]吡啶和包含至少一种此类5或8-取代咪唑并[1，5-a]吡啶的药物组合物、其制备工艺及其在治疗中的应用。本文公开的某些 5 或 8-取代咪唑并[1，5-a]吡啶可用于抑制吲哚胺 2，3-二氧 化酶和/或色氨酸 2，3-二氧 化酶，并可用于治疗由其介导的疾病或紊乱。
• Aryl extensions of thienopyrimidinones as fibroblast growth factor receptor 1 kinase inhibitors
  作者：Anil R. Ekkati、Valsan Mandiyan、Krishna P. Ravindranathan、Jae H. Bae、Joseph Schlessinger、William L. Jorgensen

  DOI：10.1016/j.tetlet.2010.12.081

  日期：2011.4

  Optimization of thienopyrimidinone derivatives as FGFR1 kinase inhibitors is being pursued. The present results confirm predictions of computational modeling that an aryl substituent can be introduced at the 2-position in structure 3. The substituent is anticipated to project deeper into the binding site and provide opportunities for enhanced activity and selectivity. The most potent analog reported herein, 13, has a 4-hydroxyphenyl substituent and yields an IC(50) of 6 mu M for inhibition of phosphorylation by FGFR1 kinase. It was also found that the western anisole-containing substituent in 3 can be replaced by a propionic acid group with no loss in potency and with potentially significant gains in pharmacologically relevant properties. (C) 2010 Elsevier Ltd. All rights reserved.
• Triphenylpyrylium salt-sensitized photoreactions of 1,4-diaryl-2,3-dioxabicyclo[2.2.2]octanes through competitive single electron-transfer pathway and proton-catalyzed pathway
  作者：Masaki Kamata、Jun-ichi Kaneko、Jun-ichi Hagiwara、Ryoichi Akaba

  DOI：10.1016/j.tetlet.2004.08.077

  日期：2004.9

  2,4,6-Triphenylpyrylium tetrafluoroborate (TPPBF4)-sensitized photoinduced electron-transfer (PET) reactions of 1,4-diaryl-2,3-dioxabicyclo[2.2.2]octanes 5 (a: Ar-1 = Ar-2 = p-MeOC6H4, b: Ar-1 = Ar-2 = p-MeC6H4, c: Ar-1 = Ar-2 = Ph) underwent novel fragmentation through their radical cations to give 1,4-diarylbutan-1,4-diones 6 accompanied by elimination of ethylene. On the other hand, 4-aryl-cyclohex-3-en-1-ones 7, p-substituted phenols 8, and 4-aryl-4-aryloxycyclohexanones 9 were produced through proton-catalyzed pathways when the PET reactions of 5 were performed in the absence of a certain base such as 2,6-di-tert-butylpyridine (DTBP). Particularly, the formation of 9 is consistent with the novel cationic rearrangement involving nucleophilic O-1,2-aryl shifts and C-1,4-aryl shifts. (C) 2004 Elsevier Ltd. All rights reserved.