3-乙基-2-甲基色酮 | 106949-31-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 3-乙基-2-甲基色酮
• 英文名称: 3-ethyl-2-methylchromone
• 英文别名: 3-ethyl-2-methyl-4H-chromen-4-one；3-ethyl-2-methyl-chromen-4-one；3-Aethyl-2-methyl-chromen-4-on；3-Ethyl-2-methylchromen-4-one
• CAS: 106949-31-9
• 化学式: C₁₂H₁₂O₂
• 分子量: 188.226
• InChiKey: UKVKRZHVHOXQHB-UHFFFAOYSA-N

物化性质

• 熔点：
  63-65 °C(Solv: ligroine (8032-32-4))
• 沸点：
  278.1±33.0 °C(Predicted)
• 密度：
  1.125 g/cm3(Temp: 18.5 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-乙基-2-甲基色酮 、 alkaline earth salt of/the/ methylsulfuric acid 生成 2-戊酮 、 水杨酸
  参考文献：
  名称：

  Da Re, Farmaco, Edizione Scientifica, 1956, vol. 11, p. 670,674

  摘要：

  DOI：
• 作为产物：
  描述：

  2'-羟基苯乙酮 在 四氢吡咯 、 thallium(III) p-tosylate 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 8.0h， 生成 3-乙基-2-甲基色酮
  参考文献：
  名称：

  Singh, Om V.; George, Varughese; Kapil, Randhir S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1995, vol. 34, # 10, p. 856 - 864

  摘要：

  DOI：

文献信息

• Oxidation of Chromanones and 2-Spirochromanones with [Hydroxy(tosyloxy)iodo]benzene in Acetonitrile Under Reflux as well as Ultrasound: A Convenient Route for the Synthesis of Chromones, Tetrahydroxanthones, and Their Higher Homologues
  作者：Devinder Kumar、Om V. Singh、Om Prakash、Shiv P. Singh

  DOI：10.1080/00397919408010576

  日期：1994.10

  Abstract Oxidation of chromanones (1a-i) and 2-spiro-chromanones (j-m) using [hydroxy(tosyloxy)iodo] benzene in refluxing acetonitrile as well as using ultrasound via dehydrogenation and 2,3-alkyl migration provides a convenient route for the synthesis of chromones (2a-i), tetrahydroxanthones (2j,k) and their higher homologues (21,m). The ultrasound also enhances substantially the rate of above transformations

  摘要 使用 [羟基（甲苯磺酰氧基）碘] 苯在回流乙腈中氧化色满酮 (1a-i) 和 2-螺-色满酮 (jm) 以及通过脱氢和 2,3-烷基迁移使用超声为色酮 (2a-i)、四氢氧杂蒽酮 (2j,k) 及其高级同系物 (21,m) 的合成。超声还大大提高了上述转换的速率。
• A Novel Method for Preparing Chromones via 1,2-Migration of α-Diazo-Flavanones
  作者：Baochun Ma、Minghao Sun、Kejia You、Nian Chen

  DOI：10.1055/a-1948-7303

  日期：2023.2

  A novel method for preparing chromones from α-diazo-flavanones has been developed. Good yields and regioselectivity are obtained through HCl catalysis and Rh2(Oct)4 catalysis. The chromone obtained can undergo a one-pot Diels–Alder reaction to synthesize flavanone propellane in high yield. Mechanisms about 1,2-migration under both catalysts are proposed.

  开发了一种从 α-重氮黄烷酮制备色酮的新方法。通过HCl催化和Rh 2 (Oct) 4催化获得了良好的产率和区域选择性。获得的色酮可以通过一锅 Diels-Alder 反应以高产率合成黄烷酮推进剂。提出了两种催化剂下 1,2-迁移的机理。
• PQSR MODULATORS
  申请人：HELMHOLTZ-ZENTRUM FÜR INFEKTIONSFORSCHUNG GMBH

  公开号：US20170022165A1

  公开（公告）日：2017-01-26

  The present invention relates to compounds according to general formula (I); to pharmaceutical compositions comprising one or more of the compound(s); and to the use of the compound(s) as anti-infectives.
• SUBSTITUTED PYRIMIDINE COMPOUNDS AS PHOSPHATIDYLINOSITOL 3-KINASE DELTA INHIBITOR AND USE THEREOF
  申请人：NANJING SANHOME PHARMACEUTICAL CO., LTD.

  公开号：US20180037576A1

  公开（公告）日：2018-02-08

  The present invention belongs to the field of medicinal chemistry, and relates to substituted pyrimidine compounds as phosphatidylinositol 3-kinase (PI3K) δ inhibitor and a use thereof. In particular, the present invention provides a compound as shown by formula I or an isomer, pharmaceutically acceptable salt, solvate or prodrug thereof, the preparation methods of same and pharmaceutical compositions containing these compounds and a use of these compounds or compositions for treating cancer, hyperblastosis diseases or inflammatory diseases. The compounds of the present invention have a good inhibiting activity on PI3Kδ and have a high selectivity. It is hoped that these will be therapeutic agents for cancer, hyperblastosis diseases or inflammatory diseases.