Salicylsaeureacetat-t-butylester | 52602-19-4

• 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: Salicylsaeureacetat-t-butylester
• 英文别名: tert-Butyl 2-(acetyloxy)benzoate；tert-butyl 2-acetyloxybenzoate
• CAS: 52602-19-4
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: DXMFOPVDIWJMSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  邻乙酰水杨酰氯 、 叔丁醇 生成 Salicylsaeureacetat-t-butylester
  参考文献：
  名称：

  HANSEN, A. B.;SENNING, A., ACTA CHEM. SCAND., 1983, 37, N 4, 351-359

  摘要：

  DOI：

文献信息

• DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID
  申请人：WALLACE JOHN L.

  公开号：US20110098257A1

  公开（公告）日：2011-04-28

  The present invention provides new derivatives of 4- or 5-aminosalicylic acid, and a pharmaceutical composition containing these derivatives of 4- or 5-aminosalicylic acid as active ingredients, useful for the treatment of intestinal diseases such as inflammatory bowel disease (IBD) and irritable bowel syndrome (IBS) and for the prevention/treatment of colon cancer. More particularly, these derivatives comprise a hydrogen sulfide releasing moiety linked via an azo, an ester, an anhydride, a thioester or an amide linkage to a molecule of 4- or 5-aminosalicylic acid. Furthermore, the present invention provides a process for preparing these compounds and their use for treating IBD and IBS and the prevention/treatment of colon cancer.

  本发明提供了4-或5-氨基水杨酸的新衍生物，以及包含这些4-或5-氨基水杨酸衍生物作为活性成分的制药组合物，用于治疗肠道疾病，如炎症性肠病（IBD）和肠易激综合征（IBS），以及预防/治疗结肠癌。更具体地说，这些衍生物包括通过偶氮键、酯键、酸酐、硫酯键或酰胺键连接到4-或5-氨基水杨酸分子上的释放硫化氢的基团。此外，本发明还提供了制备这些化合物的方法以及它们用于治疗IBD和IBS以及预防/治疗结肠癌的用途。
• Chemical Feasibility Studies Concerning Potential Prodrugs of Acetylsalicylic Acid.
  作者：Asger B. Hansen、Alexander Senning、Xu Jie-Cheng、Ulla Björkroth、Lu Yi-An、Liu Yin-Zeng

  DOI：10.3891/acta.chem.scand.37b-0351

  日期：——

  A rationale is developed for aspirin prodrugs based on non-acidic latentiated derivatives. Knowledge of the gastro-intestinal liabilities and pharmacological profile is required for this approach whereby aspirin is built into a common ortho ester function of the type 2-substituted 2-methyl-4H-1,3-benzodioxin-4-one with latentiated carboxyl and acetoxy groups. Twelve compounds of this type, ten substituted with various alkoxy and aryloxy groups and two with arylthio groups, have been isolated and characterized. A new synthetic route, comprising the reaction of 2-acetoxybenzoyl chloride with TMS derivatives of the corresponding alcohols and phenols, has been devised for the preparation of some of the compounds while others were prepared according to known methods. Subsequently, the prodrug candidates have been subjected to non-enzymatic hydrolysis for a first rapid screening in vitro. Only 2-tert-butoxy-2-methyl-4H-1,3-benzodioxin-4-one is observed to act as a true proaspirin, releasing aspirin, under these conditions, but analogous compounds with tertiary substituents may display the same behavior, and this chemical approach to aspirin modification may offer a viable rationale for aspirin prodrugs with reduced gastric irritancy or for making "superaspirins".
• Aspirin Prodrugs: Synthesis of 2-Substituted 2-Methyl-4H-1,3-benzodioxin-4-ones and their Screening for Prodrug Potential.
  作者：Karin Kramer Nielsen、Alexander Senning

  DOI：10.3891/acta.chem.scand.44-0952

  日期：——

  A series of new 2-substituted 2-methyl-4H-1,3-benzodioxin-4-ones 1 have been synthesized and fully characterized. This study involves fifteen compounds of which fourteen are orthoesters, containing tertiary aliphatic alkoxy groups. One compound contains a tert-butylperoxy group and one a 3-beta-cholesteryloxy group in the 2-position. The hydrolysis of these compounds 1 was followed in enzymatic and non-enzymatic media to clarify whether they are true prodrugs of aspirin. Two compounds 1 were additionally tested in vivo as potential topical keratolytics.
• US8114858B2
  申请人：——

  公开号：US8114858B2

  公开（公告）日：2012-02-14
• [DE] BLOND CLEAR TREATMENT<br/>[EN] BLOND CLEAR TREATMENT<br/>[FR] TRAITEMENT ÉCLAIRCISSANT À EFFET BLONDISSANT
  申请人：HENKEL KGAA

  公开号：WO2008043654A2

  公开（公告）日：2008-04-17

  [EN] The invention relates to a treatment agent for keratin fibres, in particular a hair treatment agent, containing (in relation to the weight of said agent) 0.0005 to 5 % by weight of one or more complexing agents from the groups of citric acid esters and/or salicylic acid esters and/or aminopolycarboxylic acids and/or phosphonates and/or phosphates and/or gluconates and/or nitriloacetic acids and the salts thereof. The invention also relates to the use of said agents for treating a discoloration of blond or bleached hair, in particular a greenish discoloration, and to a method for treating discolorations, in particular greenish discolorations, of blond or bleached hair.
  [FR] L'invention concerne un agent de traitement de fibres kératiniques, notamment un agent de traitement capillaire, contenant par rapport à son poids, entre 0,0005 et 5% en poids d'un ou de plusieurs agents complexants compris dans les groupes des esters d'acide citrique et/ou des esters d'acide salicylique et/ou des acides aminopolycarboxyliques et/ou des phosphonates et/ou phosphates et/ou des gluconates et/ou d'acide nitrolacétique et leurs sels. L'invention concerne l'utilisation de cet agent pour traiter en particulier une décoloration à reflets verdâtres de cheveux blonds ou décolorés, ainsi qu'un procédé pour traiter en particulier des décolorations à reflets verdâtres de cheveux blonds ou décolorés.
  [DE] Die Erfindung betrifft Keratinfaserbehandlungsmittel, insbesondere Haarbehandlungsmittel, enthaltend - bezogen auf sein Gewicht - 0,0005 bis 5 Gew.-% eines oder mehrerer Komplexbildner aus den Gruppen der Ester der Citronensaure und/oder der Ester der Salicylsaure und/oder der Aminopolycarbonsauren und/oder der Phosphonate und/oder Phosphate und/oder der Gluconate und/oder derNitriloessigsaure und deren Salze, die Verwendung dieses Mittels zur Behandlung einer insbesondere grün-stichigen Verfarbung von blondem oder blondiertem Haar sowie ein Verfahren zur Behandlung insbesondere grün-stichiger Verfarbungen von blondem oder blondiertem Haar.