ethyl 2,2-di-p-tolylacetate | 23597-04-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: ethyl 2,2-di-p-tolylacetate
• 英文别名: Bis-(4-methyl-phenyl)-essigsaeure-aethylester；Ethyl-bis-p-tolylacetat；di-p-tolyl-acetic acid ethyl ester；Di-p-tolyl-essigsaeure-aethylester；Ethyl bis(4-methylphenyl)acetate；ethyl 2,2-bis(4-methylphenyl)acetate
• CAS: 23597-04-8
• 化学式: C₁₈H₂₀O₂
• 分子量: 268.356
• InChiKey: BZVDGNKZVRVTIM-UHFFFAOYSA-N

物化性质

• 熔点：
  65 °C
• 沸点：
  373.6±11.0 °C(Predicted)
• 密度：
  1.051±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲基碘化镁 、 ethyl 2,2-di-p-tolylacetate 在 乙醚 作用下， 生成 2-methyl-1,1-di-p-tolyl-propan-2-ol
  参考文献：
  名称：

  522.杀虫活性和化学成分。第二部分 某些“ DDT”类似物的合成。

  摘要：

  DOI：

  10.1039/jr9500002718
• 作为产物：
  描述：

  4,4'-二甲基联苯甲酰 在 一水合肼 作用下， 生成 ethyl 2,2-di-p-tolylacetate
  参考文献：
  名称：

  Gilman; Adams, Recueil des Travaux Chimiques des Pays-Bas, 1929, vol. 48, p. 465

  摘要：

  DOI：

文献信息

• The Influence of Growth Hormone Deficiency, Growth Hormone Replacement Therapy, and Other Aspects of Hypopituitarism on Fracture Rate and Bone Mineral Density
  作者：Christian Wüster、Roger Abs、Bengt-Åke Bengtsson、Helge Bennmarker、Ulla Feldt-Rasmussen、Elizabeth Hernberg-Ståhl、John P. Monson、Bjørn Westberg、Patrick Wilton

  DOI：10.1359/jbmr.2001.16.2.398

  日期：——

  To assess the influence of factors affecting fracture risk and bone density in adult hypopituitary patients with growth hormone deficiency (GHD), data from a large‐scale pharmacoepidemiological survey (the Pharmacia & Upjohn International Metabolic Database [KIMS]) were analyzed and compared with data from a control population (the European Vertebral Osteoporosis Study [EVOS]). The KIMS group consisted of 2084 patients (1112 men and 972 women) with various types of pituitary disease and EVOS consisted of 1176 individuals (581 men and 595 women). Fracture and bone mineral density (BMD) data were available from 2024 patients from the KIMS group and 392 patients from EVOS. The prevalence of fractures in patients with hypopituitarism was 2.66 times that in the non‐GH‐deficient EVOS population. Adult‐onset hypopituitarism with GHD was associated with a higher fracture risk than childhood‐onset disease, and patients with isolated GHD had a similar prevalence of fractures to those with multiple pituitary hormone deficiencies. Hormonal replacement therapy with L‐thyroxine, glucocorticoids, and sex steroids did not affect the risk of fracture in KIMS patients. In addition, fracture rates in KIMS were independent of body mass index (BMI) and the country of origin. However, smoking was associated with a higher fracture rate in this group. In summary, this is the first large‐scale analysis to support the hypothesis of an increased fracture risk in adult patients with hypopituitarism and GHD. This increased risk appears to be attributable to GHD alone, rather than to other pituitary hormone deficiencies or to their replacement therapy.

  为了评估影响成年垂体功能减退症患者骨折风险和骨密度的因素，特别是生长激素缺乏症（GHD）的影响，我们分析了一项大规模药物流行病学调查（法玛西亚与安万特国际代谢数据库[KIMS]）的数据，并与对照人群（欧洲椎骨骨质疏松症研究[EVOS]）的数据进行了比较。KIMS组包括2084名患者（1112名男性和972名女性），他们患有各种类型的垂体疾病，而EVOS组包括1176名个体（581名男性和595名女性）。从KIMS组的2024名患者和EVOS组的392名患者中获得了骨折和骨矿物质密度（BMD）数据。垂体功能减退症患者的骨折发生率是GH非缺乏的EVOS人群的2.66倍。与儿童期发病的疾病相比，成年期发病的垂体功能减退症伴GHD与更高的骨折风险相关，而孤立性GHD患者的骨折发生率与多重垂体激素缺乏症患者的骨折发生率相似。使用L-甲状腺素、糖皮质激素和性激素的激素替代疗法并未影响KIMS患者的骨折风险。此外，KIMS中的骨折率与体重指数（BMI）和原籍国无关。然而，吸烟与该组较高的骨折率相关。总之，这是首次大规模分析支持成年垂体功能减退症和GHD患者骨折风险增加的假设。这种增加的风险似乎仅归因于GHD，而非其他垂体激素缺乏或其替代疗法。
• Palladium-Catalyzed C–H Functionalization of Acyldiazomethane and Tandem Cross-Coupling Reactions
  作者：Fei Ye、Shuanglin Qu、Lei Zhou、Cheng Peng、Chengpeng Wang、Jiajia Cheng、Mohammad Lokman Hossain、Yizhou Liu、Yan Zhang、Zhi-Xiang Wang、Jianbo Wang

  DOI：10.1021/ja513275c

  日期：2015.4.8

  favorable. The reaction instead proceeds through Ag2CO3 assisted deprotonation and subsequently reductive elimination to afford the products with diazo functionality remained. This C-H functionalization transformation can be further combined with the recently evolved palladium-catalyzed cross-coupling reaction of diazo compounds with aryl iodides to develop a tandem coupling process for the synthesis of α,α-diaryl

  已经开发了钯催化的 CH 与芳基碘化物的酰基重氮甲烷官能化。该反应的特点是在转化过程中保留了重氮官能团，从而构成了一种将重氮官能团引入有机分子的新方法。与实验结果一致，密度泛函理论（DFT）计算表明，重氮乙酸乙酯（Pd-EDA）配合物通过双氮挤出在催化循环中形成Pd-卡宾物种不太有利。相反，反应通过 Ag2CO3 辅助的去质子化和随后的还原消除进行，以提供具有重氮官能团的产物。这种 CH 官能化转化可以进一步与最近发展的钯催化重氮化合物与芳基碘化物的交叉偶联反应相结合，以开发合成 α,α-二芳基酯的串联偶联方法。DFT 计算支持 Pd-卡宾作为催化循环中的反应中间体的参与，它通过具有低能垒 (3.8 kcal/mol) 的轻松卡宾迁移插入。
• Palladium/Copper-Catalyzed Di-α-arylation of Acetic Acid Esters
  作者：Bingrui Song、Thomas Himmler、Lukas J. Gooßen

  DOI：10.1002/adsc.201100172

  日期：2011.7

  bimetallic palladium/copper catalyst system was found to effectively promote the diarylation of alkyl acetates with aryl halides under unprecedentedly mild conditions. The phenanthroline‐copper‐phosphine catalyst stabilizes the enolate intermediate to the extent that the deprotonation of esters can be achieved even with the mild base potassium phosphate. The palladium tri‐tert‐butylphosphine co‐catalyst

  发现双金属钯/铜催化剂体系可在前所未有的温和条件下有效促进乙酸烷基酯与芳基卤化物的二芳基化。菲咯啉-铜-膦催化剂可稳定烯醇盐中间体，即使使用弱碱式磷酸钾也可实现酯的去质子化。钯三-叔丁基膦助催化剂介导得到的铜烯醇化物的耦合与多种芳基卤与相应的diarylacetic酸酯的选择性形成。
• [EN] POLYMORPHIC FORM XVI OF FEXOFENADINE HYDROCHLORIDE<br/>[FR] FORME POLYMORPHE XVI DE L'HYDROCHLORURE DE FEXOFENADINE
  申请人：TEVA PHARMA

  公开号：WO2003104197A1

  公开（公告）日：2003-12-18

  Provided is a crystalline (polymorphic) form of fexofenadine hydrochloride, denominated fexofenadine hydrochloride Form XVI.

  提供的是一种晶体（多形）形式的盐酸费托芬啶，命名为盐酸费托芬啶XVI型。
• [EN] PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION<br/>[FR] DERIVES DE PIPERIDINE ET PROCEDES DE PRODUCTION DE CES DERIVES
  申请人：ALBANY MOLECULAR RESEARCH, INC.

  公开号：WO1995000482A1

  公开（公告）日：1995-01-05

  (EN) The present invention relates to substantially pure piperidine derivative compounds of formulae (I) or (II) wherein R1 is hydrogen or hydroxy; R2 is hydrogen; or R1 and R2 taken together form a second bond between the carbon atoms bearing R1 and R2; R3 is -COOH or -COOR4; R4 has 1 to 6 carbon atoms; A, B, and D are the substituents of their respective rings each of which may be different or the same and are hydrogen, halogens, alkyl, hydroxy, alkoxy, or other substituents. A process of preparing such piperidine derivative compounds in substantially pure form is also disclosed.(FR) L'invention se rapporte à des composés dérivés de la pipéridine pratiquement purs, de formules (I) ou (II), dans lesquelles: R1 est hydrogène ou hydroxy; R2 est hydrogène; ou bien R1 et R2 pris ensemble forment une seconde liaison entre les atomes de carbone portant R1 et R2; R3 est -COOH ou -COOR4; R4 a 1 à 6 atomes de carbone; A, B et D sont les substituants de leurs chaînes respectives, chacun pouvant être différent ou identique, et sont hydrogène, halogène, alcoyle, hydroxy, alcoxy, ou d'autres substituants. L'invention se rapporte également au procédé de préparation de tels composés dérivés de la pipéridine sous forme pratiquement pure.

  本发明涉及公式（I）或（II）的实质纯的哌啶衍生物化合物，其中R1为氢或羟基；R2为氢；或者R1和R2一起形成连接R1和R2所在碳原子的第二个键；R3为-COOH或-COOR4；R4具有1至6个碳原子；A、B和D是它们各自环的取代基，每个取代基可以不同或相同，并且是氢、卤素、烷基、羟基、烷氧基或其他取代基。本发明还公开了制备这种实质纯的哌啶衍生物化合物的方法。