1-Hydroxy-3-(4-methoxyphenyl)-aceton | 30095-45-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-Hydroxy-3-(4-methoxyphenyl)-aceton
• 英文别名: 1-Hydroxy-3-(4-methoxyphenyl)propan-2-one
• CAS: 30095-45-5
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: DBOUWPKVWGWIGO-UHFFFAOYSA-N

物化性质

• 熔点：
  76-77 °C
• 沸点：
  309.0±22.0 °C(Predicted)
• 密度：
  1.144±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-烯丙基苯甲醚 在 ruthenium trichloride 、 Oxone 、 ammonium cerium (IV) nitrate 、 碳酸氢钠 作用下， 以 水 、 乙酸乙酯 为溶剂， 以29%的产率得到1-Hydroxy-3-(4-methoxyphenyl)-aceton
  参考文献：
  名称：

  Chemical Synthesis of Coelenterazine and Its Analogs: New Route toward Four Segment-Couplings

  摘要：

  A novel and improved synthetic route includes four segment-couplings toward coelenterazine and its analogs as luminescent molecules. Regio- and chemo-selective cross coupling reactions using palladium catalysts with 5-iodo-3-bromo-2-aminopyrazine have enabled providing various aminopyrazine derivatives having different substituents. The improved synthesis of coelenterazine and its analogs employed advanced condensation with the aminopyrazines using various keto-acetal segments, which resulted in much higher yields to give the final imidazopyrazinone heterocycles than the previous method using keto-aldehydes.

  DOI：

  10.3987/com-12-s(n)85

文献信息

• LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX
  申请人：NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY

  公开号：US20160074853A1

  公开（公告）日：2016-03-17

  An object of the present invention is to provide a method for directly performing arylation (particularly α-arylation) of carbonyl or thiocarbonyl compounds using a more inexpensive phenol derivative and nickel catalyst. Another object of the present invention is to provide a novel nickel catalyst that can be used in this method, and a novel ligand of the nickel catalyst. The novel compounds of the present invention are a compound having a diphosphine skeleton in which a five- or six-membered heterocyclic ring is substituted with two dialkylphosphines and/or dicycloalkylphosphines, or a salt thereof, and a compound having the diphosphine skeleton that is bound to nickel. Moreover, coupling reaction of a carbonyl compound and a phenol derivative can be advanced in the presence of a nickel compound having a monodentate or bidentate dialkylphosphine and/or dicycloalkylphosphine skeleton.

  本发明的一个目的是提供一种使用更便宜的酚衍生物和镍催化剂直接进行羟基化（尤其是α-羟基化）的醛或硫醛化合物的方法。本发明的另一个目的是提供一种可以用于该方法的新型镍催化剂，以及镍催化剂的新型配体。本发明的新化合物是一种含有二膦骨架的化合物，其中五元或六元杂环环被两个二烷基膦和/或二环烷基膦取代，或其盐，以及与镍结合的具有二膦骨架的化合物。此外，在存在具有一膦或二膦二烷基膦和/或二环烷基膦骨架的镍化合物的情况下，可以促进醛化合物和酚衍生物的偶联反应。
• Synthetic entry into yohimbinoid alkaloids and novel synthesis of (±)-17-methoxy-hexadehydroyohimbane
  作者：Uttam Kumar Pandit、Biswanath Das、Asima Chatterjee

  DOI：10.1016/s0040-4020(01)83466-9

  日期：1987.1

  simple procedure for the synthesis of 3 has been developed by a unique acid catalysed diazoketone cyclisation. It deserves mention in this connection that the acid catalyzed cyclization was facile with 3-methoxy-benzyl diazomethyl ketone (8) but 4-methoxybenzyl diazomethyl ketone (2) was reluctant to cyclize. All attempts in this direction resulted in the formation of a hydroxy ketone (4) as a major product

  已经开发出一种新的合成（±）-17-甲氧基-六氢杂亚氨基b烷（11）的方法，该方法可以通过一系列反应转化为育亨宾类生物碱。所需合成的方法是基于选择6-甲氧基-3-异苯并二氢吡喃酮（9）作为构建非氮基部分的合适合成子。氮部分是由色胺产生的。9和色胺的适当缩合产生（±）-17-甲氧基-六氢育亨宾。通过Baeyer-Villiger氧化由5-甲氧基-2-茚满酮（3）制备为δ-内酯的6-甲氧基-3-异苯并二氢吡喃酮（9）。通过独特的酸催化的重氮酮环化，已经开发出一种简单的合成3的方法。在这方面值得一提的是，酸催化的环化反应容易用3-甲氧基-苄基重氮甲基酮（8）进行，而4-甲氧基苄基重氮甲基酮（2）则不愿意环化。在该方向上的所有尝试均导致形成羟基酮（4）作为主要产物。
• Chemistry of 1,4-dioxene II
  作者：Marcel Fetizon、Issam Hanna、Janine Rens

  DOI：10.1016/s0040-4039(00)98662-3

  日期：1985.1

  1,4-Dioxen-2-yl lithium reacts with ketones or aldehydes to give alcohols which lead after an allylic rearrangement under mild conditions, followed by reduction and hydrolysis to α-hydroxymethyl ketones in fair yields.

  1,4-二恶英-2-基锂与酮或醛反应生成醇，该醇在温和条件下进行烯丙基重排后可形成铅，然后还原并水解为α-羟甲基酮，收率相当可观。
• NOVEL CYCLIC UREAS USED AS INHIBITORS OF METALLOPROTEASES
  申请人：LINDENSCHMIDT Andreas

  公开号：US20080096918A1

  公开（公告）日：2008-04-24

  The present invention relates to a novel compound of the formula I: and/or all stereoisomeric forms of the compound of the formula I and/or mixtures of these forms in any ratio, and/or a physiologically tolerated salt of the compound of the formula I, in which R1 to R5 and V1, V2 have the meanings stated in the claims and specification. The inventive compounds are suitable as inhibitors of metalloproteases, especially of ADAMTS proteases and TNF-α converting enzyme (TACE), and for the treatment of disorders such as but not limited to osteoarthrosis and rheumatoid arthritis.

  本发明涉及一种新的化合物，其化学式为I：以及/或化学式I的所有立体异构体形式，和/或这些形式的混合物，以任何比例，和/或化合物I的生理耐受盐，其中R1至R5和V1、V2在权利要求书和说明书中所述。这些创新化合物适用于金属蛋白酶的抑制剂，特别是ADAMTS蛋白酶和TNF-α转化酶（TACE），并用于治疗诸如但不限于骨关节炎和类风湿性关节炎等疾病。
• Cyclic ureas used as inhibitors of metalloproteases
  申请人：sanofi-aventis Deutschland GmbH

  公开号：US07652143B2

  公开（公告）日：2010-01-26

  The present invention relates to a novel compound of the formula I: and/or all stereoisomeric forms of the compound of the formula I and/or mixtures of these forms in any ratio, and/or a physiologically tolerated salt of the compound of the formula I, in which R1 to R5 and V1, V2 have the meanings stated in the claims and specification. The inventive compounds are suitable as inhibitors of metalloproteases, especially of ADAMTS proteases and TNF-α converting enzyme (TACE), and for the treatment of disorders such as but not limited to osteoarthrosis and rheumatoid arthritis.

  本发明涉及一种新的化合物，其化学式为I：以及/或化学式I的所有立体异构体形式和/或这些形式的任意比例混合物，以及/或化合物I的生理耐受盐，其中R1至R5和V1、V2的含义如权利要求和说明书中所述。这些创新化合物适用于金属蛋白酶的抑制剂，特别是ADAMTS蛋白酶和TNF-α转化酶（TACE）的抑制剂，并用于治疗诸如但不限于骨关节炎和类风湿性关节炎等疾病。