2-((4-甲基苯磺酰基)氧基)丙酸 | 65675-51-6

• 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-甲基苯磺酰基)氧基)丙酸
• 英文名称: 2-((4-methylbenzenesulfonyl)oxy)propanoic acid
• 英文别名: 2-(toluene-4-sulfonyloxy)-propionic acid；2-(Toluol-4-sulfonyloxy)-propionsaeure；D-lactic acid O-tosylate；2(S)-(p-toluenesulfonyloxy)propionic acid；2-(4-methylphenyl)sulfonyloxypropanoic acid
• CAS: 65675-51-6
• 化学式: C₁₀H₁₂O₅S
• 分子量: 244.268
• InChiKey: QXYOROBKCZWFKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-萘甲醚 、 2-((4-甲基苯磺酰基)氧基)丙酸 生成 2-(6-甲氧基-2-萘基)丙酸
  参考文献：
  名称：

  XAYANO, KEDZI

  摘要：

  DOI：
• 作为产物：
  描述：

  乙基2-{[(4-甲基苯基)磺酰基]氧基}丙酸酯 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 72.0h， 生成 2-((4-甲基苯磺酰基)氧基)丙酸
  参考文献：
  名称：

  Detailed Characterization of p-Toluenesulfonic Acid Monohydrate as a Convenient, Recoverable, Safe, and Selective Catalyst for Alkylation of the Aromatic Nucleus

  摘要：

  Alkylation of the aromatic nucleus, an important reaction in industry and synthetic organic chemistry, has traditionally been carried out by the well-known Friedel-Crafts reaction employing Lewis acid catalysts such as AlCl3 and BF3 or by using highly reactive organometallic reagents. Although protic acids such as anhydrous HF and concentrated H2SO4 have also been used in the alkylation of the aromatic nucleus, the notoriously corrosive, highly toxic, and hazardous nature of these agents has precluded their common use under ordinary laboratory conditions. Various organic sulfonic acids have, on occasion, been used as catalysts in Friedel-Crafts alkylations, but to our knowledge the chemistry and the scope of these reactions for common laboratory use have never been exploited in detail. In the present study we have characterized commercially available p-toluenesulfonic acid monohydrate (TsOH) as an efficient catalyst for the intermolecular coupling of the aromatic nucleus with activated alkyl halides, alkenes, or tosylates under mild conditions in an open atmosphere. In comparison to conventional Friedel-Crafts catalysts such as AlCl3, BF3, HF, and concentrated H2SO4, the extent of the formation of undesired products from side reactions such as transalkylation, polymerization, etc. was minimal with the TsOH-catalyzed reaction. The ability to recover and reuse the catalyst from the reaction mixtures, minimal generation of environmentally unfriendly waste, high specificity of the reaction, and the low cost of the catalyst are important advantages of the TsOH catalyst over the other conventional Friedel-Crafts catalysts.

  DOI：

  10.1021/jo971832r

文献信息

• [EN] 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD)<br/>[FR] DÉRIVÉS DE 7-OU 8-HYDROXY-ISOQUINOLÉINE ET DE 7-OU 8-HYDROXY-QUINOLÉINE EN TANT QUE MODULATEURS D'ALPHA-1-ANTITRYPSINE POUR TRAITER UNE DÉFICIENCE EN ALPHA-1-ANTITRYPSINE (AATD)
  申请人：VERTEX PHARMA

  公开号：WO2021203028A1

  公开（公告）日：2021-10-07

  7- or 8-hydroxy-isoquinoline and 7- or 8-hydroxy-quinoline derivatives as alpha-l-antitrypsin modulators for treating alpha-l-antitrypsin deficiency (AATD).

  7-或8-羟基异喹啉和7-或8-羟基喹啉衍生物作为治疗α-1-抗胰蛋白酶缺乏症（AATD）的α-1-抗胰蛋白酶调节剂。
• [EN] SUBSTITUTED PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS<br/>[FR] PYRIMIDINES SUBSTITUÉES EN TANT QU'ANTAGONISTES DU RÉCEPTEUR D2 DE PROSTAGLANDINES
  申请人：AVENTIS PHARMA INC

  公开号：WO2011115940A1

  公开（公告）日：2011-09-22

  The present invention is directed to a substituted pyrimidine compound of formula (I) as set forth herein, or an enantiomer thereof, or a prodrug or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition comprising such a compound. The invention also includes a method of treatment of a patient by the administration of a pharmaceutically effective amount of such a compound. Formula (I), wherein m and n, independently of each other, are selected from the integers 0, 1, 2 or 3; X and Y, independently of each other, are selected from CR1R2, NR1 or O, wherein X and Y cannot both be O; or X and Y, taken together with the bond between them, form a phenyl group optionally substituted by one to four R3 groups; each Z, independently of each other, is CR1R2; R1, R2 and R3, independently of each other, are selected from the group consisting of H, halogen, aryl, amino, optionally substituted alkyl, optionally substituted alkoxy, and carboxy; wherein optionally substituted alkyl, may be substituted by one to three of the same or different of halogen, carboxy, cyano, hydroxy, amino or aryl.

  本发明涉及一种如下所示的取代嘧啶化合物的公式（I），或其对映体，或其前药或其药学上可接受的盐，或包括这种化合物的药物组合物。该发明还包括一种通过给予患者所述化合物的药学有效量来治疗患者的方法。公式（I）中，其中m和n，彼此独立地从0、1、2或3中选取；X和Y，彼此独立地从CR1R2、NR1或O中选取，其中X和Y不能同时为O；或X和Y，连同它们之间的键，形成一个苯基，该苯基可选择地被1到4个R3基替代；每个Z，彼此独立地为CR1R2；R1、R2和R3，彼此独立地从H、卤素、芳基、氨基、可选择地被取代的烷基、可选择地被取代的烷氧基和羧基的群中选取；其中可选择地被取代的烷基，可以被1到3个相同或不同的卤素、羧基、氰基、羟基、氨基或芳基取代。
• [EN] COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR DÉTERMINER LA PRÉSENCE DE CELLULES LEUCOCYTAIRES ACTIVES À L'AIDE D'UN DOSAGE ÉLECTROCHIMIQUE
  申请人：PARVIZI SURGICAL INNOVATION LLC

  公开号：WO2020069176A1

  公开（公告）日：2020-04-02

  A substrate composition for leukocyte esterases comprising a monoester, said monoester being one of an α-amino acid ester or an α-hydroxy acid ester, with specificity for leukocyte esterases, said monoester having a first moiety for participating in a redox reaction, and a second moiety comprising an amine blocking or alcohol blocking group.

  一种用于白细胞酯酶的底物组合物，包括一种单酯，所述单酯是α-氨基酸酯或α-羟基酸酯之一，对白细胞酯酶具有特异性，所述单酯具有用于参与氧化还原反应的第一基团，以及包括胺阻滞或醇阻滞基团的第二基团。
• [EN] SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS<br/>[FR] MODULATEURS SÉLECTIFS DU RÉCEPTEUR DE SPHINGOSINE-1-PHOSPHATE ET PROCÉDÉS DE SYNTHÈSE CHIRALE
  申请人：RECEPTOS INC

  公开号：WO2011060392A1

  公开（公告）日：2011-05-19

  Compounds that selectively modulate the sphingosine 1 phosphate receptor are provided including compounds which modulate subtype 1 of the SlP receptor. Methods of chiral synthesis of such compounds is provided. Uses, methods of treatment or prevention and methods of preparing inventive compositions including inventive compounds are provided in connection with the treatment or prevention of diseases, malconditions, and disorders for which modulation of the sphingosine 1 phosphate receptor is medically indicated.

  提供了选择性调节鞘氨醇1磷酸受体的化合物，包括调节SlP受体亚型1的化合物。提供了这种化合物的手性合成方法。涉及通过调节鞘氨醇1磷酸受体治疗或预防需要医学指示的疾病、异常和障碍的用途、治疗或预防方法以及制备创新化合物的创新组成物的制备方法。
• Fused-Aromatic Compounds Having Anti-Diabetic Activity
  申请人：Wood Harold B.

  公开号：US20080194586A1

  公开（公告）日：2008-08-14

  Fused aromatic compounds of Formula (I) are PPAR gamma agonists or partial agonists and are useful in the treatment or control of type II diabetes, including hyperglycemia, dylipidermia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity that are often associated with type 2 diabetes.

  公式（I）的融合芳香化合物为PPAR-gamma激动剂或部分激动剂，可用于治疗或控制II型糖尿病，包括常与II型糖尿病相关的高血糖，血脂异常，高脂血症，高胆固醇血症，高甘油三酯血症和肥胖症。