ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate | 118215-61-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
• 英文别名: ethyl 3-hydroxy-3-(o-hydroxyphenyl)propanoate
• CAS: 118215-61-5
• 化学式: C₁₁H₁₄O₄
• 分子量: 210.23
• InChiKey: KUIQWKWPFHYSPB-UHFFFAOYSA-N

物化性质

• 沸点：
  332.6±21.0 °C(Predicted)
• 密度：
  1.222±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-Dimethylsilanyloxy-3-(2-hydroxy-phenyl)-propionic acid ethyl ester 在 盐酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 生成 ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
  参考文献：
  名称：

  Metal Chloride-Promoted Aldol Reaction of α-Dimethylsilylesters with Aldehydes, Ketones, and α-Enones

  摘要：

  在氯化锂（LiCl）的催化量存在下，α-二甲基硅醚（α-DMS-酯）1在30°C下顺利与各种醛反应，以良好至高收率生成醇醛化合物。另一方面，酮的醇醛反应更有效地被氯化镁（MgCl2）而非氯化锂（LiCl）促进。α-烯酮也能在羰基碳或β-碳上经历金属氯化物促进的1的加成反应。

  DOI：

  10.1055/s-2005-871938

文献信息

• A Barbier allylation and a Reformatsky reaction of carbonyl compounds mediated by indium(I) iodide
  作者：Shuki Araki、Hirokazu Ito、Nobuhito Katsumura、Yasuo Butsugan

  DOI：10.1016/0022-328x(89)85180-0

  日期：1989.7

  Indium(I) iodide was found to mediate in the Barbier allylation and in the Reformatsky reaction of aldehydes and ketones to give homoallylic alcohols and β-hydroxy esters, respectively, presumably via allylindium(III) diiodide.

  发现碘化铟（I）在Barbier烯丙基化以及醛和酮的Reformatsky反应中介导，分别推测是通过烯丙基碘化（III）生成均烯丙基醇和β-羟基酯。
• ULTRASOUND PROMOTED SYNTHESIS OF β-HYDROXYESTERS BY REFORMATSKY REACTION USING INDIUM METAL
  作者：Phil Ho Lee、Keukchan Bang、Kooyeon Lee、Sun-young Sung、Sukbok Chang

  DOI：10.1081/scc-100108228

  日期：2001.1.1

  Ultrasound promoted Reformatsky reaction by the reaction of aldehydes or ketone with ethyl bromoacetate in the presence of indium metal afforded β-hydroxyesters in good to excellent yields under mild conditions.

  超声波通过醛或酮与溴乙酸乙酯在铟金属存在下的反应促进 Reformatsky 反应，在温和条件下以良好至极好的收率提供 β-羟基酯。
• Solvent-Free Synthesis of β-Hydroxy Esters and β-Amino Esters by Indium-Mediated Reformatsky Reaction
  作者：Huayue Wu、Weike Su、Xi’an Chen、Changfu Zhang、Xiaochun Yu、Jiang Cheng

  DOI：10.1055/s-2007-990799

  日期：2007.10

  In a convenient and efficient procedure for the solvent-free synthesis of β-hydroxy esters and β-amino esters, various aldehydes and aldimines undergo a Reformatsky reaction mediated by non-activated indium at room temperature to give the corresponding esters in good to excellent yields.

  在无溶剂合成 β-羟基酯和 β-氨基酯的方便有效的过程中，各种醛和醛亚胺在室温下发生由非活化铟介导的 Reformatsky 反应，以良好至极好的收率得到相应的酯.
• A facile preparation of indium enolates and their Reformatsky- and Darzens-type reactions
  作者：Tsunehisa Hirashita、Kenji Kinoshita、Hatsuo Yamamura、Masao Kawai、Shuki Araki

  DOI：10.1039/a907334e

  日期：——

  Indium enolates were readily prepared by transmetalation of lithium enolates with indium trichloride, and were subsequently reacted with aldehydes to give β-hydroxy esters in high yields. Indium α-bromo enolates were also prepared and reacted with carbonyl compounds to give Darzens-type α,β-epoxy carbonyl products.

  铟烯醇盐通过锂烯醇盐与三氯化铟的金属交换反应容易制备，随后与醛反应生成高产率的β-羟基酯。铟α-溴烯醇盐也被制备并与羰基化合物反应，生成Darzens 型α,β-环氧羰基产物。
• Sulfamate derivative compounds for use in treating or alleviating pain
  申请人：Bio-Pharm Solutions Co., Ltd.

  公开号：US10081615B2

  公开（公告）日：2018-09-25

  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.

  本发明涉及氨基磺酸盐衍生物化合物和一种治疗和/或减轻疼痛的组合物，其中含有氨基磺酸盐衍生物化合物或其药学上可接受的盐作为活性成分。更具体地说，本发明涉及一种治疗或减轻疼痛的药物组合物，其中含有一种氨基磺酸盐衍生物化合物和/或其药学上可接受的盐作为活性成分。此外，本发明还涉及一种治疗或减轻疼痛的方法，该方法包括向需要治疗或减轻疼痛的受试者施用药学有效量的氨基磺酸盐衍生物化合物。