2-(4-溴苯基)-2-羟基丙酸 | 58244-32-9

• 物质功能分类: 医药中间体 - 原料药中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-溴苯基)-2-羟基丙酸
• 英文名称: 2-(4-bromophenyl)-2-hydroxypropanoic acid
• 英文别名: 2-hydroxy-2-(4-bromophenyl)propionic acid
• CAS: 58244-32-9
• 化学式: C₉H₉BrO₃
• 分子量: 245.073
• InChiKey: HGBGWLCEGRKHHJ-UHFFFAOYSA-N

物化性质

• 熔点：
  215 °C(Solv: ethanol (64-17-5))
• 沸点：
  392.5±27.0 °C(Predicted)
• 密度：
  1.656±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  2-(4-溴苯基)-2-羟基丙酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 硫酸 、 potassium acetate 作用下， 以 1,4-二氧六环 为溶剂， 生成 methyl 2-hydroxy-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate
  参考文献：
  名称：

  WO2020002611A5

  摘要：

  公开号：

  WO2020002611A5
• 作为产物：
  描述：

  2-(p-bromophenyl)-1,2-propanediol 在 platinum on activated charcoal 、 水 、 氧气 、 碳酸氢钠 作用下， 生成 2-(4-溴苯基)-2-羟基丙酸
  参考文献：
  名称：

  Stereospecific Decarboxylative Allylation of Sulfones

  摘要：

  Allyl sulfonylacetic esters undergo highly stereospecific, palladium-catalyzed decarboxylative allylation. The reaction allows the stereospecific formation of tertiary homoallylic sulfones in high yield. In contrast to related reactions that proceed at -100 degrees C and require highly basic preformed organometallics, the decarboxylative coupling described herein occurs under mild nonbasic conditions and requires no stoichiometric additives. Allylation of the intermediate a-sulfonyl anion is more rapid than racemization, leading to a highly enantiospecific process. Density functional theory calculations indicate that the barrier for racemization is 9.9 kcal/mol, so the barrier for allylation must be <9.9 kcal/mol.

  DOI：

  10.1021/ja104196x

文献信息

• NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES
  申请人：Chen Li

  公开号：US20090203681A1

  公开（公告）日：2009-08-13

  The present invention provides novel compounds of the general formula (I) and pharmaceutically acceptable salts thereof, processes for the manufacture of these novel compounds and medicaments containing such compounds. The compounds of the present invention show anti-proliferative and differentiation-inducing activity, which results in inhibition of tumor cell proliferation, induction of apoptosis and inhibition of invasion. The invention also covers the use of such compounds for the treatment of diseases such as cancer and for the manufacture of corresponding medicaments.

  本发明提供了一般式（I）的新化合物及其药学上可接受的盐，制备这些新化合物的方法以及含有这些化合物的药物。本发明的化合物表现出抗增殖和诱导分化活性，导致抑制肿瘤细胞增殖、诱导凋亡和抑制侵袭。该发明还涵盖了利用这些化合物治疗癌症等疾病以及制造相应药物的用途。
• Synthesis of α-Hydroxycarboxylic Acids from Various Aldehydes and Ketones by Direct Electrocarboxylation: A Facile, Efficient and Atom Economy Protocol
  作者：Kishanpal Singh、Harvinder Singh Sohal、Baljit Singh

  DOI：10.14233/ajchem.2021.23090

  日期：2021.3.31

  In present work, the formation of α-hydroxycarboxylic acids have been described from various aromatic aldehydes and ketones via direct electrocarboxylation method with 80-92% of yield without any side product and can be purified by simple recrystallization using sacrificial Mg anode and Pt cathode in an undivided cell, CO2 at (1 atm) was continuously bubbled in the cell throughout the reaction using

  在目前的工作中，已经描述了通过直接电羧化方法从各种芳香醛和酮形成α-羟基羧酸，收率80-92％，没有任何副产物，并且可以使用牺牲镁阳极和铂阴极通过简单的重结晶来纯化在整个反应过程中，使用四丙基氯化铵作为乙腈中的支持电解质，在未分割的电池中，以（1 atm）的CO2在电池中连续鼓泡。所合成的化合物收率相当出色，且纯度较高。电羧化化合物的表征是通过红外、核磁共振（1H 和 13C）、质量和元素分析等光谱技术来完成的。
• NOVEL N-(2-AMINO-PHENYL)-ACRYLAMIDES
  申请人：Wong Jason Christopher

  公开号：US20090286848A1

  公开（公告）日：2009-11-19

  The present invention is directed to the compounds of formula wherein R 1 to R 4 have the significances given herein, to processes for the manufacture of said compounds as well as medicaments containing said compounds. The compounds according to this invention show anti-proliferative and differentiation-inducing activity and are thus useful for the treatment of diseases such as cancer in humans or animals.

  本发明涉及具有以下式的化合物，其中R1至R4具有本文中给出的含义，以及制造该化合物的方法以及含有该化合物的药物。根据本发明的化合物显示抗增殖和诱导分化活性，因此对于治疗人类或动物的癌症等疾病是有用的。
• Biaryl urea derivative or salt thereof and preparation process and use for the same
  申请人：Fudan University

  公开号：US10647665B2

  公开（公告）日：2020-05-12

  The present invention discloses a biaryl urea RORγt inhibitor, and specifically relates to a biaryl urea derivative, as represented by formula I, with an RORγt inhibiting activity, and a preparation process thereof, and a pharmaceutical composition comprising the compound. Further disclosed is use of the compound for treating an RORγt-related disease.

  本发明公开了一种双芳基脲 RORγt 抑制剂，具体涉及一种由式 I 表示的具有 RORγt 抑制活性的双芳基脲衍生物及其制备工艺，以及包含该化合物的药物组合物。进一步公开了该化合物用于治疗 RORγt 相关疾病的用途。
• BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME
  申请人：Fudan University

  公开号：EP3476829B1

  公开（公告）日：2021-12-15