4-tert-Pentyl-benzoesaeure | 20129-71-9

• 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: 4-tert-Pentyl-benzoesaeure
• 英文别名: 4-(2-Methylbutan-2-yl)benzoic acid
• CAS: 20129-71-9
• 化学式: C₁₂H₁₆O₂
• mdl: MFCD09260826
• 分子量: 192.258
• InChiKey: YFFAAVQQUYFOTD-UHFFFAOYSA-N

物化性质

• 沸点：
  299.5±19.0 °C(Predicted)
• 密度：
  1.038±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-tert-Pentyl-benzoesaeure 在 草酰氯 、 溶剂黄146 、 二甲基亚砜 、 1-羟基苯并三唑一水物 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(4-{5-[4-(1,1-Dimethyl-propyl)-phenyl]-[1,2,4]oxadiazol-3-yl}-benzyl)-azetidine-3-carboxylic acid
  参考文献：
  名称：

  Discovery of Potent 3,5-Diphenyl-1,2,4-oxadiazole Sphingosine-1-phosphate-1 (S1P₁) Receptor Agonists with Exceptional Selectivity against S1P₂ and S1P₃

  摘要：

  A class of 3,5-diphenyl-1,2,4-oxadiazole based compounds have been identified as potent sphingosine-1-phosphate-1 (S1P(1)) receptor agonists with minimal affinity for the S1P(2) and S1P3 receptor subtypes. Analogue 26 (S1P(1) IC50 = 0.6 nM) has an excellent pharmacokinetics profile in the rat and dog and is efficacious in a rat skin transplant model, indicating that S1P(3) receptor agonism is not a component of inummosuppressive efficacy.

  DOI：

  10.1021/jm0503244
• 作为产物：
  描述：

  1-(4-(tert-pentyl)phenyl)ethan-1-one 生成 4-tert-Pentyl-benzoesaeure
  参考文献：
  名称：

  The Effects of Alkyl Groups Linked to Conjugated Systems. I. The Alkaline Hydrolysis of Some Ethyl p-Alkylbenzoates¹

  摘要：

  DOI：

  10.1021/ja01132a015

文献信息

• 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists
  申请人：Chen Weirong

  公开号：US20050245575A1

  公开（公告）日：2005-11-03

  The present invention encompasses compounds of Formula I: as well as the pharmaceutically acceptable salts and hydrates thereof. The compounds are useful for treating immune mediated diseases and conditions, such as bone marrow, organ and tissue transplant rejection. Pharmaceutical compositions and methods of use are included.

  本发明涵盖公式I的化合物，以及其药学上可接受的盐和水合物。这些化合物可用于治疗免疫介导的疾病和病况，例如骨髓、器官和组织移植排斥反应。还包括药物组合物和使用方法。
• APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS
  申请人：Chang Edcon

  公开号：US20110077235A1

  公开（公告）日：2011-03-31

  The present invention relates to apoptosis signal-regulating kinase 1 (“ASK1”) inhibiting compounds of the formula (I); wherein the variables are as defined herein. The invention also relates to pharmaceutical compositions, kits and articles of manufacture comprising such compounds; methods and intermediates useful for making the compounds; and methods of using said compounds.

  本发明涉及公式(I)的凋亡信号调节激酶1（“ASK1”）抑制化合物；其中变量如本文所定义。本发明还涉及包含此类化合物的制药组合物、试剂盒和制造物品；制造该化合物有用的方法和中间体；以及使用该化合物的方法。
• Process of manufacturing diaryl esters of dicarboxylic acids
  申请人：CELANESE CORPORATION

  公开号：EP0104813A1

  公开（公告）日：1984-04-04

  @ A process for preparing diaryl esters of a monohydroxy aromatic compound with dicarboxylic acids wherein the esterification reaction is optimized by continuously removing water and/or other by-products of the reaction from the reactor, while supplying to the reactor a make-up amount of the monohydroxy aromatic compound containing no more than 100 ppm of water. The make-up stream may be obtained by stripping the by-product stream of water and other by-products of the reaction.

  一种用二羧酸制备单羟基芳香族化合物二芳基酯的工艺，其中通过不断从反应器中去除水和/或反应的其他副产物来优化酯化反应，同时向反应器提供含水量不超过 100 ppm 的单羟基芳香族化合物补给量。补给流可以通过去除副产物流中的水和其他反应副产物来获得。
• PROPYLENE-ETHYLENE COPOLYMER COMPOSITIONS AND PROCESS FOR THE PRODUCTION THEREOF
  申请人：CHISSO CORPORATION

  公开号：EP0790262A1

  公开（公告）日：1997-08-20

  A propylene-ethylene copolymer composition is obtained which has a good moldability and is excellent in the balance of rigidity, toughness, and impact-strength. A propylene-ethylene copolymer composition having a melt flow rate of 10 to 300 g/10 minutes and obtained by producing 60 to 95 % by weight, based on the weight of whole polymer, of a propylene polymer having a melt flow rate (ASTM D-1238) in the range of 100 to 1,000 g/10 minutes and having a ratio (Cf) of integrated values of the propylene polymer dissolved in o-dichlorobenzene at a temperature of lower than 112°C, and a temperature of 112°C or higher, respectively, which is an index of the stereoregurality in molecules and molecular weight distribution, when the amounts of the propylene polymer dissolved therein at each of the temperatures were determined by raising the temperature of the o-dichlorobenzene continuously or stepwise, of 0.5 or less, by carrying out polymerization of propylene in the presence of a highly stereoregular catalyst and hydrogen in a polymerization step (I), and then producing 5 to 40 % by weight, based on the weight of whole polymer, of an ethylene-propylene copolymer by feeding ethylene and propylene to the propylene polymer produced in the polymerization step (I) to react so that the content of ethylene becomes 30 to 80 % by weight, in a polymerization step (II); and a propylene-ethylene copolymer composition comprising the composition mentioned above and a α-crystal and/or β-crystal nucleator added therewith.

  一种丙烯-乙烯共聚物组合物具有良好的成型性，并且在刚性、韧性和冲击强度的平衡方面表现优异。 一种熔体流动速率为 10 至 300 克/10 分钟的丙烯-乙烯共聚物组合物，通过以下方法获得 以整个聚合物的重量为基准，生产 60% 至 95% 重量百分比的丙烯聚合物，其熔体流动速率（ASTM D-1238）在 100 至 1,000 克/10 分钟范围内，在温度低于 112°C、和 112°C 或更高温度下溶解在邻二氯苯中的丙烯聚合物的综合值之比 (Cf)，这分别是分子立体性和分子量分布的指标，当通过连续或逐步提高邻二氯苯的温度 0.5 或更低，在聚合步骤 (I) 中，在高度立体配位催化剂和氢的存在下进行丙烯聚合，然后 在聚合步骤(II)中，通过向聚合步骤(I)中生成的丙烯聚合物中加入乙烯和丙烯进行反应，使乙烯的含量达到 30% 至 80%（以整个聚合物的重量计），生成 5% 至 40%（以重量计）的乙烯-丙烯共聚物；以及丙烯-乙烯共聚物组合物，该组合物包括上述组合物和加入其中的 α 结晶和/或 β 结晶成核剂。
• ELECTRONIC DEVICE, POLYMER COMPOUND, ORGANIC COMPOUND, AND METHOD OF PRODUCING POLYMER COMPOUND
  申请人：Sumitomo Chemical Company Limited

  公开号：EP2693508A1

  公开（公告）日：2014-02-05

  The present invention provides an electronic device that serves as a high-brightness electroluminescent device. Specifically, the present invention provides an electronic device including a layer comprising a polymer compound comprising one or more structural units selected from the group consisting of a structural unit represented by formula (1) and a structural unit represented by formula (7) as a charge injection layer and/or a charge transport layer; and the like. wherein R1 represents a certain group; R2 represents a certain group; m1 represents an integer of 0 or more; when R2 is plurally present, they may be the same or different; and a hydrogen atom in formula (1) may be replaced with a substituent other than R1 or R2. wherein R6 represents a certain group; R7 represents a certain group; m5 represents an integer of 0 or more; when R7 is plurally present, they may be the same or different; and a hydrogen atom in formula (7) may be replaced with a substituent other than R6 or R7 .

  本发明提供了一种可用作高亮度电致发光装置的电子装置。具体地说，本发明提供了一种电子设备，其中包括一层聚合物化合物，该聚合物化合物包含一个或多个结构单元，这些结构单元选自由式（1）表示的结构单元和式(7)表示的结构单元组成的组，作为电荷注入层和/或电荷传输层；等等。 其中 R1 代表一定的基团；R2 代表一定的基团；m1 代表 0 或 0 以上的整数；当 R2 复数存在时，它们可以相同或不同；式（1）中的氢原子可以被 R1 或 R2 以外的取代基取代。 其中 R6 代表一定的基团；R7 代表一定的基团；m5 代表 0 或 0 以上的整数；当 R7 复数存在时，它们可以相同或不同；式（7）中的氢原子可以被 R6 或 R7 以外的取代基取代。