3-(2-甲氧基-苯基)-丙烷-1,2-二醇 | 1635-04-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-(2-甲氧基-苯基)-丙烷-1,2-二醇
• 英文名称: 3-(2-methoxyphenyl)propane-1,2-diol
• 英文别名: 3-(2-Methoxy-phenyl)-propan-1,2-diol
• CAS: 1635-04-7
• 化学式: C₁₀H₁₄O₃
• 分子量: 182.219
• InChiKey: DIEYXQVDPMJJRM-UHFFFAOYSA-N

物化性质

• 熔点：
  62-63 °C(Solv: ethyl ether (60-29-7); pentane (109-66-0))
• 沸点：
  126-128 °C(Press: 0.2 Torr)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(嘧啶-5-基)苯甲醛 、 3-(2-甲氧基-苯基)-丙烷-1,2-二醇 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以74%的产率得到5-(2-(4-(2-methoxybenzyl)-1,3-dioxolan-2-yl)phenyl)pyrimidine
  参考文献：
  名称：

  Palladium-Catalyzed meta-C–H Olefination of Arene-Tethered Diols Directed by Well-Designed Pyrimidine-Based Group

  摘要：

  The palladium-catalyzed meta-olefination of arene-tethered diols attached to a well-designed pyrimidine moiety is presented. Applications of the protocol are illustrated by the synthesis of various diol-based natural products, such as coumarins, phenylpropanoids, stilbenes, and chalcones. Advantages of this method are demonstrated through the easy removal of the template and a gram-scale olefination reaction. Finally, experimental verification, including H-1 NMR, ESI-MS and IR, and DFT studies are undertaken to elucidate the mechanistic complexity.

  DOI：

  10.1021/acs.orglett.9b00433
• 作为产物：
  描述：

  2-烯丙基苯甲醚 在 甲基磺酰胺 、 AD-mix β 作用下， 以 水 、 叔丁醇 为溶剂， 反应 6.0h， 以54%的产率得到3-(2-甲氧基-苯基)-丙烷-1,2-二醇
  参考文献：
  名称：

  Palladium-Catalyzed meta-C–H Olefination of Arene-Tethered Diols Directed by Well-Designed Pyrimidine-Based Group

  摘要：

  The palladium-catalyzed meta-olefination of arene-tethered diols attached to a well-designed pyrimidine moiety is presented. Applications of the protocol are illustrated by the synthesis of various diol-based natural products, such as coumarins, phenylpropanoids, stilbenes, and chalcones. Advantages of this method are demonstrated through the easy removal of the template and a gram-scale olefination reaction. Finally, experimental verification, including H-1 NMR, ESI-MS and IR, and DFT studies are undertaken to elucidate the mechanistic complexity.

  DOI：

  10.1021/acs.orglett.9b00433

文献信息

• DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0634408A1

  公开（公告）日：1995-01-18

  A compound represented by general formula (I) or a salt thereof, excellent in parasiticidal activity as an enthelmintic for animal and man, wherein A represents benzyl which is appropriately substituted or phenyl which may be appropriately substituted; Aa represents benzyl or phenyl each of which may be appropriately substituted; B and D represent each lower alkyl; and C represents hydrogen or lower alkyl.

  通式（I）所代表的化合物或其盐，作为动物和人的驱虫药，具有优异的杀寄生虫活性，其中 A 代表被适当取代的苄基或可被适当取代的苯基；Aa 代表苄基或苯基，其中每个都可被适当取代；B 和 D 分别代表低级烷基；C 代表氢或低级烷基。
• Chemocontrolled reduction of aromatic α-ketoesters by NaBH4: Selective synthesis of α-hydroxy esters or 1,2-diols
  作者：Vincent Dalla、Philippe Cotelle、Jean Pierre Catteau

  DOI：10.1016/s0040-4039(97)00154-8

  日期：1997.3

  alpha-hydroxyesters 5a-g or diols 6a-g have been obtained in high yields by reduction of aromatic alpha-ketoesters 4 once or twice respectively by using NaBH4 as the reducer under suitable conditions. The use of a solvent that does not interact with the reagent allowed the double reduction to occur with only a slight excess of borohydride in very mild conditions. (C) 1997 Elsevier Science Ltd.
• Beasley et al., Journal of Pharmacy and Pharmacology, 1959, vol. 11, p. 36,41
  作者：Beasley et al.

  DOI：——

  日期：——
• Sulfamate Derivative Compounds for Use in Treating or Alleviating Pain
  申请人：BIO-PHARM SOLUTIONS CO., LTD.

  公开号：US20160311792A1

  公开（公告）日：2016-10-27

  The present invention relates to sulfamate derivative compounds and a composition for treating and/or alleviating pain containing the sulfamate derivative compounds or a pharmaceutically acceptable salt thereof as an active ingredient. More specifically the present invention relates to a pharmaceutical composition for treating or alleviating pain containing a sulfamate derivative compound and/or a pharmaceutically acceptable salt thereof as an active ingredient. Furthermore, the present invention relates to a method for treatment or alleviation of pain comprising administering a sulfamate derivative compound in a pharmaceutically effective amount to a subject in need of treatment or alleviation of pain.
• US5514773A
  申请人：——

  公开号：US5514773A

  公开（公告）日：1996-05-07