α-carboxy-α'-hydroxy-o-xylene | 81065-81-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: α-carboxy-α'-hydroxy-o-xylene
• 英文别名: 2-[2-(hydroxymethyl)phenyl]acetic Acid
• CAS: 81065-81-8
• 化学式: C₉H₁₀O₃
• 分子量: 166.177
• InChiKey: IXESBHJCRFUPPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  3
• 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：

  α-carboxy-α'-hydroxy-o-xylene 以48%的产率得到
  参考文献：
  名称：

  CHURANOV S. S.; LOSEVA M. V.; UVAROVA T. N., BECTH. MOSK. YH-TA. XIMIYA , 1975, 16, HO 3, 338-343

  摘要：

  DOI：
• 作为产物：
  描述：

  生成 α-carboxy-α'-hydroxy-o-xylene
  参考文献：
  名称：

  CHURANOV S. S.; LOSEVA M. V.; UVAROVA T. N., BECTH. MOSK. YH-TA. XIMIYA , 1975, 16, HO 3, 338-343

  摘要：

  DOI：

文献信息

• Process for producing isochromanones and intermediates thereof
  申请人：Showa Denko K.K.

  公开号：US06372921B1

  公开（公告）日：2002-04-16

  (1) Methods for producing isochromanone compounds from o-xylene compounds as starting compounds through &agr;-halogeno-o-xylene derivatives, &agr;-cyano-o-xylene derivatives, and &agr;-halogeno-&agr;′-cyano-o-xylene derivatives, and (2) methods for producing isochromanone compounds from o-xylene compounds as starting compounds through &agr;,&agr;′-dihalogeno-o-xylene derivatives, &agr;,&agr;′-dihydroxy-o-xylene derivatives, &agr;-halogeno-&agr;′-hydroxy-o-xylene derivatives and &agr;-cyano-&agr;′-hydroxy-o-xylene derivatives, and methods for producing these intermediate compounds.

  通过α-卤代-o-二甲苯衍生物、α-氰基-o-二甲苯衍生物和α-卤代-α′-氰基-o-二甲苯衍生物，以及通过α,α′-二卤代-o-二甲苯衍生物、α,α′-二羟基-o-二甲苯衍生物、α-卤代-α′-羟基-o-二甲苯衍生物和α-氰基-α′-羟基-o-二甲苯衍生物，从o-二甲苯化合物作为起始化合物生产异色酮化合物的方法，以及生产这些中间化合物的方法。
• [EN] "INHIBITORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE, COMPOSITIONS, PRODUCTS AND USES THEREOF"<br/>[FR] "INHIBITEURS DE NICOTINAMIDE PHOSPHORIBOSYLTRANSFÉRASE, COMPOSITIONS, PRODUITS ET LEURS UTILISATIONS"
  申请人：UNIVERSIT DEGLI STUDI DEL PIEMONTE ORIENTALE AMEDEO AVOGADRO

  公开号：WO2014178001A1

  公开（公告）日：2014-11-06

  Compounds of formula (I): able to inhibit nicotinamide phosphoribosyltransferase. The disclosure also relates to the use of compounds of formula (I) for treatment of pathological conditions in which NAMPT inhibition might be beneficial, such as acute and chronic inflammation, cancer and metabolic disorders.

  化学式（I）的化合物：能够抑制烟酰胺磷酸核糖转移酶。该公开还涉及使用化学式（I）的化合物来治疗可能受益于NAMPT抑制的病理条件，如急性和慢性炎症、癌症和代谢紊乱。
• [EN] FUNCTIONALISED ANTIFOULING COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS ANTISALISSURE FONCTIONNALISÉS ET LEUR UTILISATION
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2011096897A1

  公开（公告）日：2011-08-11

  The present invention relates to derivatives of α, α-disubstituted amide compounds which comprise a substituted aryl at the α carbon such that the substituent provides a means for attachment or incorporation of the compound to or in a polymer. The provision of such a substituent on the aryl has surprisingly been found not only to permit attachment to or incorporation in a polymer but also retention of useful antifouling activity. In embodiments, the substituent is selected from hydroxyl, ethers, esters, carboxyls, alkylsilyls and alkenyls. Experiments demonstrate that antifouling activity can be as good or better as the corresponding unsubstituted compound and that polymers functionalised so as to include or be formed from the substituted compound can be used to reduce settlement.

  本发明涉及α，α-二取代酰胺化合物的衍生物，其在α碳上包含一个取代芳基，使得该取代基提供了将化合物附着或并入聚合物的手段。在芳基上提供这样的取代基不仅意外地被发现可以允许化合物附着或并入聚合物，而且还保留了有用的防污活性。在实施例中，取代基可选择自羟基，醚，酯，羧基，烷基硅基和烯基。实验证明，防污活性可以和对应的未取代化合物一样好甚至更好，并且功能化以包括或由取代化合物形成的聚合物可用于减少沉积。
• Method for producing 2-halogenomethylphenyl acetic acid derivatives
  申请人：Korte Alexander

  公开号：US20110295022A1

  公开（公告）日：2011-12-01

  The present invention relates to a process for producing 2-halogenomethylphenyl acetic acid derivatives.

  本发明涉及一种生产2-卤代甲基苯乙酸衍生物的方法。
• [EN] IMPROVED PROCESS FOR MANUFACTURING ANHYDROUS (E)-3-[2-BUTYL-1- {(4-CARBOXYPHENYL) METHYL}-1H-IMIDAZOLE-5-YL]-(THIOPHEN-2- YLMETHYL)PROP-2-ENOIC ACID METHANE SULFONATE<br/>[FR] PROCÉDÉ AMÉLIORÉ DE FABRICATION DE MÉTHANESULFONATE DE L'ACIDE (E)-3-[2-BUTYL-1-{(4-CARBOXYPHÉNYL)MÉTHYL}-1H-IMIDAZOL-5-YL]-(THIOPHÉN-2-YLMÉTHYL)PROP-2-ÉNOÏQUE
  申请人：NEULAND LAB LTD

  公开号：WO2009084028A2

  公开（公告）日：2009-07-09

  The present invention relates to a simple efficient and cost effective process for commercial manufacture of (E)-3-[2-Butyl-1-(4-carboxyphenyl) methyl}-1H-imidazole-5-yl]- 2-(thiophen-2-ylmethyl)prop-2-enoic acid and its conversion to substantially pure anhydrous mesylate salt as shown in Formula (I), with a purity level of 99.85% and single individual impurity of less than 0.10 %.

  本发明涉及一种简单高效、成本效益良好的商业化生产(E)-3-[2-丁基-1-(4-羧基苯基)甲基}-1H-咪唑-5-基]-2-(噻吩-2-基甲基)丙烯酸及其转化为纯度达99.85％、单一杂质含量低于0.10％的无水甲磺酸盐的方法，其化学式如公式（I）所示。