3-Nitro-4-hydroxyphenyl-α-methylacetic acid | 65784-32-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-Nitro-4-hydroxyphenyl-α-methylacetic acid
• 英文别名: 2-(4-Hydroxy-3-nitro-phenyl)-propionic acid；2-(3-nitro-4-hydroxyphenyl)propionic acid；2-(3-nitro-4-hydroxyphenyl)propionate；2-(4-hydroxy-3-nitrophenyl)propanoic acid
• CAS: 65784-32-9；73933-14-9；90103-59-6
• 化学式: C₉H₉NO₅
• 分子量: 211.174
• InChiKey: FOBWIPGSNZOTNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 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：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-Nitro-4-hydroxyphenyl-α-methylacetic acid 生成 methyl 3-amino-4-hydroxyphenyl-α-methylacetate
  参考文献：
  名称：

  Shridhar, D. R.; Sastry, C. V. Reddy; Lal, B., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 4, p. 311 - 313

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(4-methoxy-3-nitro-phenyl)-propionic acid 在 氢溴酸 、 溶剂黄146 作用下， 生成 3-Nitro-4-hydroxyphenyl-α-methylacetic acid
  参考文献：
  名称：

  Novel substituted phenylacetic acid derivatives and a process for

  摘要：

  具有以下结构的新型取代苯乙酸衍生物：##STR1##其中R.sub.1代表氢原子或较低的烷基基团，R.sub.3代表具有3-4个碳原子的烯基或炔基基团，具有出色的抗炎和镇痛活性。

  公开号：

  US04016193A1

文献信息

• [EN] SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS<br/>[FR] DÉRIVÉS DE CARBOXAMIDE AROMATIQUE ET D'URÉE SUBSTITUÉS EN TANT QUE LIGANDS DU RÉCEPTEUR VANILLOÏDE
  申请人：GRUENENTHAL GMBH

  公开号：WO2010127855A1

  公开（公告）日：2010-11-11

  The invention relates to substituted aromatic carboxamide and urea derivatives, to processes for the preparation thereof, to pharmaceutical compositions containing these compounds and also to the use of these compounds for preparing pharmaceutical compositions (formula (I)).

  这项发明涉及取代芳香族羧酰胺和脲衍生物，以及其制备方法，含有这些化合物的药物组合物，以及利用这些化合物制备药物组合物的用途（式（I））。
• Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions
  申请人：FRANK Robert

  公开号：US20090156590A1

  公开（公告）日：2009-06-18

  Vanilloid receptor ligand compounds corresponding to formula I: pharmaceutical compositions containing such compounds, a process for producing such compounds, and methods of using such compounds for treating or inhibiting pain and various other disorders or conditions.

  与公式I相对应的辣椒素受体配体化合物：含有这种化合物的药物组合物，生产这种化合物的方法，以及使用这种化合物治疗或抑制疼痛和各种其他疾病或症状的方法。
• Process for preparing benzoxazolyl propionic acid derivatives
  申请人：Ravizza S.p.A.

  公开号：US04304918A1

  公开（公告）日：1981-12-08

  The application describes a process for preparing 2-phenyl derivatives of benzoxazolyl propionic acid of formula ##STR1## in which X is H, Cl, Br, F, or a linear or branched alkyl or 1 to 6 carbon atoms. The process starts from 3-nitro-4-hydroxyphenyl-.alpha.-methyl-acetonitrile which is hydrolysed in the presence of a strong acid, the 3-nitro-4-hydroxyphenyl-.alpha.-methylacetic acid thus obtained is hydrogenated in the presence of Pd on carbon, and the 3-amino-4-hydroxyphenyl-.alpha.-methylacetic acid deriving therefrom is first reacted with benzoyl chloride or with para-substituted benzoyl chloride in the presence of an alkaline base, and then with 85% phosphoric acid to complete the formation of the oxazolinic ring.

  该应用描述了一种制备苯并噁唑丙酸的2-苯基衍生物的过程，其化学式为##STR1##其中X为H，Cl，Br，F或线性或支链烷基或1至6个碳原子。该过程以3-硝基-4-羟基苯基-α-甲基-乙腈为起点，在强酸存在下水解，所得的3-硝基-4-羟基苯基-α-甲基乙酸在Pd/C存在下进行氢化，由此得到的3-氨基-4-羟基苯基-α-甲基乙酸首先在碱性催化剂存在下与苯甲酰氯或对位取代苯甲酰氯反应，然后在85%的磷酸存在下完成噁唑环的形成。
• Azole derivatives useful as insecticide
  申请人：——

  公开号：US20040209776A1

  公开（公告）日：2004-10-21

  This invention relates to improved azole derivatives of formula (I): where B is O or S; Het is a heterocycle selected from a number of specified heterocycles and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 are each selected from specified groups; provided that at least one of R 6 and R 10 is not hydrogen; and to insecticidal, acaricidal, molluscicidal and nematicidal compositions comprising them and to methods of using them to combat and control insect, acarine, mollusc and nematode pests.

  本发明涉及改进的式（I）的唑类衍生物，其中B为O或S; Het是从指定的多种杂环中选择的杂环，R1、R2、R3、R4、R5、R6、R7、R8、R9和R10分别选择自指定的基团; 前提是至少R6和R10中的一个不是氢; 以及包含它们的杀虫剂、杀螨剂、杀软体动物剂和杀线虫剂组合物以及使用它们对抗和控制昆虫、螨虫、软体动物和线虫害的方法。
• Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions
  申请人：Frank Robert

  公开号：US20110301156A1

  公开（公告）日：2011-12-08

  Vanilloid receptor ligand compounds corresponding to formula I: pharmaceutical compositions containing such compounds, a process for producing such compounds, and methods of using such compounds for treating or inhibiting pain and various other disorders or conditions.

  Vanilloid受体配体化合物I式对应的药物组成物，含有这种化合物的药物组成物，制备这种化合物的过程，以及使用这种化合物治疗或抑制疼痛和各种其他疾病或情况的方法。