4-(2-hydroxyethyl)phenyl pivalate | 141923-61-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(2-hydroxyethyl)phenyl pivalate
• 英文别名: 4-pivaloxyphenethanol；2,2-dimethyl-propionic acid 4-(2-hydroxy-ethyl)-phenyl ester；[4-(2-hydroxyethyl)phenyl] 2,2-dimethylpropanoate
• CAS: 141923-61-7
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: JXOJKCMLXUUGPI-UHFFFAOYSA-N

物化性质

• 沸点：
  329.6±25.0 °C(Predicted)
• 密度：
  1.074±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(2-hydroxyethyl)phenyl pivalate 、 6-(3-Chloro-4-hydroxyphenyl)-4,5-dihydro-3(2H)-pyridazinone 在 triphenylphosphine polystyrene 、 偶氮二甲酸二异丙酯 作用下， 以 二氯甲烷 为溶剂， 反应 18.17h， 以74%的产率得到2,2-dimethyl-propionic acid 4-{2-[2-chloro-4-(6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenoxy]-ethyl}-phenyl ester
  参考文献：
  名称：

  WO2006/60127

  摘要：

  公开号：
• 作为产物：
  描述：

  三甲基乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 58.0h， 生成 4-(2-hydroxyethyl)phenyl pivalate
  参考文献：
  名称：

  3-Pivaloyl-1,3-thiazolidine-2-thione在中性条件下的羟基选择性聚乙烯醇缩合反应

  摘要：

  在中性条件下，发现3-pivaloyl-1,3-thiazolidine-2-thione（PTT）可作为羟基的选择性Pivaloyylating试剂。通过PTT选择性地将含有伯羟基和仲羟基的二醇的伯羟基以及具有醇羟基和酚羟基的二醇的酚羟基进行了多羟基化。

  DOI：

  10.1016/0040-4039(92)88169-6

文献信息

• Stereoselective Phenylselenoglycosylation of Glycals Bearing a Fused Carbonate Moiety toward the Synthesis of 2-Deoxy-β-galactosides and β-Mannosides
  作者：Shuai Meng、Wenhe Zhong、Wang Yao、Zhongjun Li

  DOI：10.1021/acs.orglett.0c00732

  日期：2020.4.17

  A phenylselenoglycosylation reaction of glycal derivatives mediated by diphenyl diselenide and phenyliodine(III) bis(trifluoroacetate) under mild conditions is described. Stereoselective glycosylation has been achieved by installing fused carbonate on those glycals. 3,4-O-Carbonate galactals and 2,3-O-carbonate 2-hydroxyglucals are converted into corresponding glycosides in good yields with excellent

  描述了在温和条件下由二苯基二硒化物和苯基碘（III）双（三氟乙酸酯）介导的糖衍生物的苯基硒糖基化反应。立体选择性糖基化反应是通过在这些糖基上安装熔融碳酸盐来实现的。3,4- ø -碳酸酯galactals和2,3- ö -碳酸酯2- hydroxyglucals被转换成对应于良好的产率具有优良的β选择性糖苷，产生2- phenylseleno -2-脱氧-β半乳糖苷和2- phenylseleno -β-甘露糖苷分别是2-脱氧-β-半乳糖苷和β-甘露糖苷的良好前体。
• Selective acylation of the phenolic hydroxyl of (hydroxyalkyl)phenols by using vinyl carboxylates as acyl donors in the presence of rubidium fluoride
  作者：Toshifumi Miyazawa、Masato Yamamoto、Hiroshi Danjo

  DOI：10.1007/s00706-013-1019-2

  日期：2013.9

  AbstractHighly selective acylation of the phenolic hydroxy group can be achieved with (hydroxyalkyl)phenols carrying both alcoholic and phenolic hydroxyls by the use of vinyl carboxylates as acyl donors in the presence of rubidium fluoride. Graphical Abstract

  摘要在氟化carrying存在下，通过使用羧酸乙烯酯作为酰基供体，可以同时携带醇羟基和酚羟基的（羟烷基）酚实现酚羟基的高度选择性酰化。 图形概要
• 一种红景天苷的合成方法及其中间体化合物
  申请人：宜昌人福药业有限责任公司

  公开号：CN105294787B

  公开（公告）日：2018-11-27

  本发明公开了一种红景天苷的合成方法及其中间体化合物。该方法包括如下步骤：(1)对羟基保护的苯乙醇与酰基保护的葡萄糖酯在路易斯酸催化下在有机溶剂1中进行反应，得式(IV)所示的中间体；(2)将式(IV)所示的中间体在C1‑C4烷醇中，在碱的存在下脱除酰基保护基，干燥，即得I；式(III)和(IV)中取代基的定义详见说明书。本发明的合成方法具有操作简单、条件温和、收率高且易于工业化的优点。
• Compounds With Mixed Pde-Inhibitory and Beta-Adrenergic Antagonist or Partial Agonist Activity For Treatment of Heart Failure
  申请人：Taylor George Malcolm

  公开号：US20080090827A1

  公开（公告）日：2008-04-17

  This invention provides compounds that possess inhibitory activity against β-adrenergic receptors and phosphodiesterase PDE, including phosphodiesterase 3 (PDE3). This invention further provides pharmaceutical compositions comprising such compounds; methods of using such compounds for treating cardiovascular disease, stroke, epilepsy, ophthalmic disorder or migraine; and methods of preparing pharmaceutical compositions and compounds that possess inhibitory activity against β-adrenergic receptors and PDE.

  本发明提供了具有抑制β-肾上腺素能受体和磷酸二酯酶PDE（包括磷酸二酯酶3（PDE3））活性的化合物。本发明还提供了包含这些化合物的药物组合物；使用这些化合物治疗心血管疾病、中风、癫痫、眼科疾病或偏头痛的方法；以及制备具有抑制β-肾上腺素能受体和PDE活性的药物组合物和化合物的方法。
• Twisted Amides as Selective Acylating Agents for Hydroxyl Groups under Neutral Conditions:  Models for Activated Peptides during Enzymatic Acyl Transfer Reaction
  作者：Shinji Yamada、Takayuki Sugaki、Kazuhiro Matsuzaki

  DOI：10.1021/jo9522015

  日期：1996.1.1

  The highly twisted amide 2 served as a selective acylating agent; for dials under neutral conditions. The reaction of primary-secondary dials with 2 led to the corresponding primary alkyl monopivalates. For dials containing alcoholic and phenolic hydroxyl groups, alcoholic hydroxyl groups were selectively acylated under neutral conditions, whereas, the opposite selectivity was observed under basic conditions, similar to the cases using acyl halides or acid anhydrides. Although 1 and 3 were unreactive to alcohols, 5-10 having substituent groups at C-4 were reactive to alcohols to give the corresponding acetates or benzoates.