1-acetoxy-4-(1-acetoxy-ethyl)-benzene | 68735-72-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 1-acetoxy-4-(1-acetoxy-ethyl)-benzene
• 英文别名: 1-Acetoxy-4-(1-acetoxy-aethyl)-benzol；1-(4-acetoxyphenyl)ethyl acetate；<1-(4-Acetoxy-phenyl)-aethyl>-acetat；α-Tyrosoldiacetat；Hydroxyphenylethanol diacetate；[4-(1-acetyloxyethyl)phenyl] acetate
• CAS: 68735-72-8
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: NGFQCVNXZSQSRY-UHFFFAOYSA-N

物化性质

• 沸点：
  296.0±23.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-acetoxy-4-(1-acetoxy-ethyl)-benzene 生成 4-乙酰氧基苯乙烯
  参考文献：
  名称：

  Vinylaryl esters

  摘要：

  公开号：

  US02276138A1
• 作为产物：
  描述：

  4-乙基苯酚 在 chromium oxide-cobalt hydroxide-calcium carbonate catalyst 、 copper oxide-chromium oxide 、 氧气 、 sodium acetate 作用下， 130.0~145.0 ℃ 、13.73 MPa 条件下， 生成 1-acetoxy-4-(1-acetoxy-ethyl)-benzene
  参考文献：
  名称：

  The Use of Liquid Phase Oxidation for the Preparation of Nuclearly Substituted Styrenes. II. p-Vinylphenyl Acetate

  摘要：

  DOI：

  10.1021/ja01212a508

文献信息

• Part 148 in the Series “Studies on Novel Synthetic Methodologies:” Selective Acetylation of Alcohols, Phenols and Amines and Selective Deprotection of Aromatic Acetates using Silica-Supported Phosphomolybdic Acid
  作者：Biswanath Das、Ponnaboina Thirupathi、Rathod Aravind Kumar、Keetha Laxminarayana

  DOI：10.1002/adsc.200700292

  日期：2007.12.10

  efficient catalyst for the selective acetylation of alcohols, phenols and amines in the absence of any solvent and also for the chemoselective deprotection of aromatic acetates under very mild conditions. This method has been used for the protection of the hydroxy groups as well as for the deprotection of the acetates of several naturally occurring bioactive phenolic compounds. The catalyst can be easily

  发现环保的二氧化硅负载的磷钼酸是在没有任何溶剂的情况下用于醇，酚和胺的选择性乙酰化以及在非常温和的条件下用于芳族乙酸酯的化学选择性脱保护的高效催化剂。该方法已用于保护羟基以及几种天然存在的生物活性酚类化合物的乙酸酯的脱保护。该催化剂可以容易地回收和再利用。
• [EN] TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS<br/>[FR] COMPOSÉS TRICYCLIQUES POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES
  申请人：PIRAMAL LIFE SCIENCES LTD

  公开号：WO2009016565A1

  公开（公告）日：2009-02-05

  The present invention provides compounds represented by general formula (1) wherein, R1 R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12, R13 and X are as defined in the specification, in all its stereoisomeric and tautomeric forms and mixtures thereof in all ratios, and its pharmaceutically acceptable salts, pharmaceutically acceptable solvates, pharmaceutically acceptable polymorphs and prodrugs. These compounds are useful for treatment of inflammatory disorders including those caused by elevated levels of proinflammatory cytokines such as Tumor Necrosis Factor (TNF-α and/or interleukins (IL-1β, IL-6, IL-8). The invention also relates to processes for the manufacture of compounds of formula (1) and pharmaceutical compositions containing them.

  本发明提供了由通式（1）表示的化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13和X如规范中定义的那样，在所有立体异构体和互变异构体形式以及它们的混合物中的所有比例中，以及其药学上可接受的盐、药学上可接受的溶剂化合物、药学上可接受的多型体和前药。这些化合物对于治疗包括由促炎细胞因子水平升高引起的炎症性疾病很有用，如肿瘤坏死因子（TNF-α）和/或白细胞介素（IL-1β、IL-6、IL-8）。该发明还涉及制备通式（1）化合物的方法以及含有它们的制药组合物。
• TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS
  申请人：Bhedi Dilip Narayanrao

  公开号：US20110009396A1

  公开（公告）日：2011-01-13

  The present invention provides compounds represented by formula 1: wherein, R 1 R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 and X are as defined in the specification, in all its stereoisomeric and tautomeric forms and mixtures thereof in all ratios, and its pharmaceutically acceptable salts, pharmaceutically acceptable solvates, pharmaceutically acceptable polymorphs and prodrugs. These compounds are useful for treatment of inflammatory disorders including those caused by elevated levels of proinflammatory cytokines such as Tumor Necrosis Factor (TNF-α and/or interleukins (IL-1β, IL-6, IL-8). The invention also relates to processes for the manufacture of compounds of formula 1 and pharmaceutical compositions containing them.

  本发明提供了由式1所表示的化合物，其中，R1R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13和X在规范中定义，包括其所有立体异构体和互变异构体以及在所有比例中的混合物，以及其药学上可接受的盐、药学上可接受的溶剂化合物、药学上可接受的多晶形和前药。这些化合物可用于治疗炎症性疾病，包括由前炎症细胞因子如肿瘤坏死因子（TNF-α）和/或白细胞介素（IL-1β、IL-6、IL-8）水平升高引起的疾病。本发明还涉及制备式1化合物的方法和含有它们的制药组合物。
• NaOAc-Mediated Selective Deprotection of Aromatic Acetates and Its Application in the Synthesis of Natural Products
  作者：T. Narender、K. Papi Reddy、G. Madhur

  DOI：10.1080/00397910802621731

  日期：2009.5.7

  We have developed an efficient method to deacetylate the aromatic acetates using NaOAc in excellent yields and demonstrated the application of the procedure in the synthesis of natural products.
• SHIGEMOTO, TADASHI;ITOH, KAZUHIKO, NIPPON KAGAKU KAJSI,(1990) N, S. 702-704
  作者：SHIGEMOTO, TADASHI、ITOH, KAZUHIKO

  DOI：——

  日期：——