3-羟基-1-(4'-羟基苯基)-2-甲基丙酮 | 92207-32-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-羟基-1-(4'-羟基苯基)-2-甲基丙酮
• 英文名称: 3-hydroxy-1-(4'-hydroxyphenyl)-2-methylpropanone
• 英文别名: 3-Hydroxy-1-(4-hydroxyphenyl)-2-methylpropan-1-one
• CAS: 92207-32-4
• 化学式: C₁₀H₁₂O₃
• mdl: MFCD06408024
• 分子量: 180.203
• InChiKey: IKDHKKQFOBSBGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-羟基-1-(4'-羟基苯基)-2-甲基丙酮 在 一水合肼 作用下， 以 乙醚 为溶剂， 反应 4.0h， 生成 4-(2,6-Dimethyl-6,7-dihydro-[1,3,4]oxadiazepin-5-yl)-phenol
  参考文献：
  名称：

  A Facile and General Synthesis of 2,5,6-Trisubstituted-6,7-dihydro-1,3,4-oxadiazepines

  摘要：

  DOI：

  10.1055/s-1984-30838
• 作为产物：
  描述：

  聚合甲醛 、 4-羟基苯丙酮 生成 3-羟基-1-(4'-羟基苯基)-2-甲基丙酮
  参考文献：
  名称：

  CIGNARELLA, G.;BARLOCCO, D.;CURZU, M. M.;PINNA, G. A., SYNTHESIS, BRD, 1984, N 4, 342-345

  摘要：

  DOI：

文献信息

• Thermal Retro-Aldol Reaction Using Fluorous Ether F-626 as a Reaction Medium
  作者：Ilhyong Ryu、Takahide Fukuyama、Takuji Kawamoto、Takahiro Okamura、Aurelien Denichoux

  DOI：10.1055/s-0030-1258501

  日期：2010.9

  A high-boiling, fluorous-organic hybrid ether, F-626, was tested for use in thermal retro-aldol reactions and found to be an excellent reaction medium in view of the ease of separation from the product by fluorous/organic biphasic treatment. The recovered F-626 can be readily reused for subsequent runs.

  高沸点氟有机杂化醚F-626被测试用于热逆羟醛反应，并发现它是一种优秀的反应介质，因为可以通过氟/有机两相处理轻松地从产物中分离出来。回收的F-626可以方便地重复用于后续的反应批次。
• Reinvestigation of the Reaction of 3-Hydroxy-2-methyl-1-aryl-1-propanones and Related Compounds with Hydrazine and Carboxylic Acids
  作者：Giorgio Cignarella、Daniela Barlocco、Maria Michela Curzu、Gérard Aimé Pinna

  DOI：10.1055/s-1989-27242

  日期：——

  The reaction between the title compounds and hydrazine hydrate in an appropriate carboxylic acid gave 1-acyl/aroyl-3-aryl-4-methyl-4,5-dihydropyrazoles 9, instead of 2,5,6-trisubstituted 6,7-dihydro-1,3,4-oxadiazepines as previously reported. Evidence is presented for the attribution of the correct structure and for the reaction mechanisms involved.

  标题化合物与水合肼在适当的羧酸中发生反应，生成了 1-酰基/芳酰基-3-芳基-4-甲基-4,5-二氢吡唑 9，而不是以前报告的 2,5,6-三取代的 6,7-二氢-1,3,4-恶二氮杂卓。文中提出了正确结构的归属和相关反应机制的证据。
• Hydroxymethylation of Propiophenones in Aqueous Medium: A New Route to 1-Aryl-2-methyl-2-propen-1-ones
  作者：Maria Michela Curzu、Gerard Aimé Pinna、Daniela Barlocco、Carlo Bugatti、Giorgio Cignarella

  DOI：10.1055/s-1984-30837

  日期：——
• Enzyme-Catalyzed Chemoselective Transesterification Reactions on Hydroxymethylated Phenolic Compounds
  作者：Virinder S. Parmar、Ashok K. Prasad、Hari N. Pati、Rajesh Kumar、Abul Azim、Sucharita Roy、William Errington

  DOI：10.1006/bioo.1998.1117

  日期：1999.4

  The chemoselective capabilities of porcine pancreatic lipase (PPL) in tetrahydrofuran and Candida rugosa lipase (CRL) in diisopropyl ether have been investigated for selective acetylation and deacetylation of hydroxymethylated phenols and hydroxyaryl alkyl ketones and their peracetylated derivatives. Both PPL and CRL exhibited exclusive selectivity for the acetylation of alcoholic hydroxyl group over the phenolic hydroxyl group(s) of the hydroxymethylated phenols 1-5 and aryl alkyl ketones 6-9, and for the deacetylation of ester group involving the phenolic hydroxyl group over the ester group involving alcoholic hydroxyl of the peracetates 19-24. The preliminary results indicate that this strategy of chemoselective acetylation can also be used in the enantiomeric resolution of racemic ketones 6-9. Single crystal X-ray diffraction studies have confirmed the structures of compounds 4, 15, and 17. (C) 1999 Academic Press.
• CURZU, M. M.;PINNA, G. A.;BARLOCCO, D.;BUGATTI, C.;CIGNARELLA, G., SYNTHESIS, BRD, 1984, N 4, 339-342
  作者：CURZU, M. M.、PINNA, G. A.、BARLOCCO, D.、BUGATTI, C.、CIGNARELLA, G.

  DOI：——

  日期：——