1-(3-乙基-4-羟基苯基)乙酮 | 22934-47-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3-乙基-4-羟基苯基)乙酮
• 英文名称: 4-Hydroxy-3-ethyl-acetophenon
• 英文别名: 1-(3-Ethyl-4-hydroxyphenyl)ethanone
• CAS: 22934-47-0
• 化学式: C₁₀H₁₂O₂
• 分子量: 164.204
• InChiKey: LZXDQZLDCFOFGA-UHFFFAOYSA-N

物化性质

• 熔点：
  95°C
• 沸点：
  170-180 °C(Press: 1 Torr)
• 密度：
  1.078±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2914501900

反应信息

• 作为反应物：
  描述：

  1-(3-乙基-4-羟基苯基)乙酮 在 sodium hydroxide 、 硫酸 、 氢溴酸 、 溴 、 溶剂黄146 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 生成 3-乙基-4-羟基苯甲酸甲酯
  参考文献：
  名称：

  Begue,J.-P.; Fetizon,M., Bulletin de la Societe Chimique de France, 1969, p. 781 - 787

  摘要：

  DOI：
• 作为产物：
  描述：

  乙基苯酚 生成 1-(3-乙基-4-羟基苯基)乙酮
  参考文献：
  名称：

  McCoubrey, Journal of Pharmacy and Pharmacology, 1956, vol. 8, p. 648,649

  摘要：

  DOI：

文献信息

• COMPOUND WITH AGITATION EFFECT ON PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR. PROCESS FOR ITS PREPARATION AND USE THEREOF
  申请人：Jin Chunhua

  公开号：US20110319458A1

  公开（公告）日：2011-12-29

  The present invention provides a novel compound of formula I, which has an agitation effect on the peroxisome proliferator-activated receptor subtype δ (PPARδ), to a pharmaceutical composition comprising the compound, to a process for preparation of the compound and to use of the compound in the manufacture of a medicament for treating or preventing a disease which could be treated or prevented by activating PPARδ thereof, said disease is one or more from the group comprising metabolic syndrome, obesity, dyslipidemia, pathoglycemia, insulin resistance, senile dementia and tumors. The present invention also relates to a new intermediate used in the preparation of the novel compound and a process for preparation of the intermediate.

  本发明提供了一种具有对过氧化物酶体增殖物激活受体亚型δ（PPARδ）具有激动作用的化合物I的新型化合物，以及包括该化合物的药物组合物，制备该化合物的方法以及利用该化合物制造用于治疗或预防可通过激活PPARδ来治疗或预防的疾病的药物的用途，所述疾病是代谢综合征、肥胖、血脂异常、糖代谢异常、胰岛素抵抗、老年痴呆和肿瘤中的一种或多种。本发明还涉及用于制备新型化合物的新中间体以及制备该中间体的方法。
• Pyrimidinones as Casein Kinase II (CK2) Modulators
  申请人：Rice Kenneth D.

  公开号：US20090215803A1

  公开（公告）日：2009-08-27

  A compound having Formula (I) or a pharmaceutically acceptable salt thereof, wherein X, R 1 and R 2 are defined in the specification; pharmaceutical compositions thereof; and methods of use thereof.

  具有化学式（I）或其药用可接受的盐的化合物，其中X、R1和R2在规范中定义；其药物组成；以及使用方法。
• Sulfonylbenzene compounds as anti-inflammatory/analgesic agents
  申请人：——

  公开号：US20030225064A1

  公开（公告）日：2003-12-04

  This invention provides a compound of the formula: 1 or its pharmaceutically acceptable salt thereof, wherein A is partially unsaturated or unsaturated five membered heterocyclic, or partially unsaturated or unsaturated five membered carbocyclic, wherein the 4-(sulfonyl)phenyl and the 4-substituted phenyl in the formula (I) are attached to ring atoms of Ring A, which are adjacent to each other; R 1 is optionally substituted aryl or heteroaryl, with the proviso that when A is pyrazole, R 1 is heteroaryl; R 2 is C 1-4 alkyl, halo-substituted C 1-4 alkyl, C 1-4 alkylamino, C 1-4 dialkylamino or amino; R 3 , R 4 and R 5 are independently hydrogen, halo, C 1-4 alkyl, halo-substituted C 1-4 alkyl or the like; or two of R 3 , R 4 and R 5 are taken together with atoms to which they are attached and form a 4-7 membered ring; R 6 and R 7 are independently hydrogen, halo, C 1-4 alkyl, halo-substituted C 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkylthio, C 1-4 alkylamino or N,N-di C 1-4 alkylamino; and m and n are independently 1, 2, 3 or 4. This invention also provides a pharmaceutical composition useful for the treatment of a medical condition in which prostaglandins are implicated as pathogens.

  本发明提供了公式1的化合物或其药学上可接受的盐，其中A为部分不饱和或不饱和的五元杂环，或部分不饱和或不饱和的五元碳环，公式（I）中的4-（磺酰基）苯基和4-取代苯基连接到相邻的环A环原子上；R1为可选的取代芳基或杂芳基，但当A为吡唑时，R1为杂芳基；R2为C1-4烷基，卤代C1-4烷基，C1-4烷基氨基，C1-4双烷基氨基或氨基；R3、R4和R5独立地为氢、卤、C1-4烷基、卤代C1-4烷基或类似物，或者R3、R4和R5中的两个与它们连接的原子形成4-7成员环；R6和R7独立地为氢、卤、C1-4烷基、卤代C1-4烷基、C1-4烷氧基、C1-4烷基硫基、C1-4烷基氨基或N，N-双C1-4烷基氨基；m和n独立地为1、2、3或4。本发明还提供了一种用于治疗前列腺素作为病原体涉及的医疗状况的药物组合物。
• COMPOUND WITH AGITATION EFFECT ON PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR , AND PREPARATION METHOD AND USE THEREOF
  申请人：Zhejiang Hisun Pharmaceutical Co. Ltd.

  公开号：EP2330098A1

  公开（公告）日：2011-06-08

  The present invention provides a novel compound of formula I, which has an agitation effect on the peroxisome proliferator-activated receptor subtype δ (PPARδ), to a pharmaceutical composition comprising the compound, to a process for preparation of the compound and to use of the compound in the manufacture of a medicament for treating or preventing a disease which could be treated or prevented by activating PPARδ thereof, said disease is one or more from the group comprising metabolic syndrome, obesity, dyslipidemia, pathoglycemia, insulin resistance, senile dementia and tumors. The present invention also relates to a new intermediate used in the preparation of the novel compound and a process for preparation of the intermediate.

  本发明提供了一种对过氧化物酶体增殖激活受体亚型δ（PPARδ）具有刺激作用的新型式 I 化合物，以及一种包含该化合物的药物组合物、本发明涉及一种制备该化合物的工艺，以及该化合物在制造用于治疗或预防可通过激活 PPARδ 治疗或预防的疾病的药物中的用途，所述疾病是包括代谢综合征、肥胖症、血脂异常、病态血糖、胰岛素抵抗、老年痴呆症和肿瘤在内的一组疾病中的一种或多种。本发明还涉及一种用于制备新型化合物的新型中间体以及制备该中间体的工艺。
• Synthesis and structure-activity relationships among .alpha.-adrenergic receptor agonists of the phenylethanolamine type
  作者：Gerard Leclerc、Jean Claude Bizec、Nicole Bieth、Jean Schwartz

  DOI：10.1021/jm00181a008

  日期：1980.7

  Nineteen arylethanolamine derivatives related to norepinephrine were prepared and tested for alpha-adrenergic stimulant activity. In one series the analogues possess a p-hydroxy function, while the meta position is substituted by methyl, ethyl, isopropyl, chlohexyl, fluoro, chloro, iodo, carboxy, carbomethoxy, and methylsulfamido groups. The other series is meta hydroxylated with the para position substituted by the same groups. The influence of these groups upon the alpha-adrenergic activity is discussed, and the compounds are compared to octopamine, normetanephrine, norepinephrine, and norphenylephrine. It has been found that the introduction of an isopropyl, cyclohexyl, and fluoro group in the meta position of octopamine improves its affinity by three, five, and six times, respectively, whereas when these groups are introduced in the para position of norphenylephrine their effects are always detrimental. The most active compound, alpha-(aminomethyl)(4-fluoro-3-hydroxyphenyl)methanol (44), has about one-hundredth the affinity and the same intrinsic activity as norepinephrine.