methyl 2,2-di-p-tolylacetate | 5359-40-0

• 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: methyl 2,2-di-p-tolylacetate
• 英文别名: Benzeneacetic acid, 4-methyl-alpha-(4-methylphenyl)-, methyl ester；methyl 2,2-bis(4-methylphenyl)acetate
• CAS: 5359-40-0
• 化学式: C₁₇H₁₈O₂
• 分子量: 254.329
• InChiKey: PLKOEXFBPPFLIA-UHFFFAOYSA-N

物化性质

• 沸点：
  147 °C
• 密度：
  1.065±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  methyl 2,2-di-p-tolylacetate 在 lithium diisopropyl amide 作用下， 生成 双(对甲苯基)乙烯酮
  参考文献：
  名称：

  乙炔烷基三烷基甲硅烷基乙缩醛：合成，热解和NMR研究

  摘要：

  已经开发了两种合成乙烯酮烷基三烷基甲硅烷基缩醛（I）的通用方法。第一种通过二取代的丙二酸酯与钠/二甲苯的反应，另一种方法是通过使取代的乙酸酯的α-阴离子与三甲基氯硅烷反应。还制备了碳甲氧基乙烯酮甲基三甲基甲硅烷基乙缩醛（III）。二芳基乙烯酮甲基三甲基甲硅烷基乙缩醛的热解以良好的收率得到二芳基乙烯酮。该反应的机理已被确立为分子内采用18 O.烷基，芳基和二烷基烯酮methyltrimethylsilyl缩醛热解，得到烯酮烯酮缩醛加成化合物（II）。芳基烯缩醛（I）的光谱研究与偶极结构Ar 2 C -- C +一致（OMe）OSiMe 3。得出的一般结论是，围绕碳bond碳双键的旋转自由度由连接的取代基决定。光谱研究与其中甲氧甲氧基和三甲基甲硅烷基氧基为顺式的化合物（III）的通量行为一致。乙烯酮缩醛（I）大量断裂的结果与它们的热裂解相似。有趣的是，质谱仪中的乙烯酮-乙烯酮缩醛（II）被分解

  DOI：

  10.1016/s0022-328x(00)90475-3
• 作为产物：
  描述：

  4,4-二甲基二苯基甲醇 在 奎宁环 、 4DPAIPN 、 四苯硼钠 、 三甲基硅烷化重氮甲烷 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 41.25h， 生成 methyl 2,2-di-p-tolylacetate
  参考文献：
  名称：

  苄基 C-OH 键的硼基自由基活化：通过光氧化还原催化实现游离醇和 CO2 的跨电偶联

  摘要：

  通过在温和的可见光光氧化还原条件下用四苯基硼酸钠产生的中性二苯基硼基自由基活化游离醇，开发了一种直接裂解 C(sp 3 )-OH 键的新策略。该策略已通过游离醇和二氧化碳的交叉亲电偶联来合成羧酸得到验证。已经实现了将一系列伯、仲和叔苯甲醇直接转化为酸。对照实验和计算研究表明，用中性硼基自由基活化醇会发生 C(sp 3 )-OH 键的均裂，从而产生烷基自由基。在光氧化还原条件下将烷基自由基还原成碳阴离子后，用CO进行以下羧化2提供耦合产品。

  DOI：

  10.1021/jacs.1c12463

文献信息

• Thianthrenation-Enabled α-Arylation of Carbonyl Compounds with Arenes
  作者：Xiao-Xue Nie、Yu-Hao Huang、Peng Wang

  DOI：10.1021/acs.orglett.0c02913

  日期：2020.10.2

  The Pd-catalyzed α-arylation of carbonyl compounds with simple arenes enabled by site-selective thianthrenation has been demonstrated. This one-pot process using thianthrenium salts as the traceless arylating reagents features mild conditions and a broad substrate scope. In addition, this protocol could also tolerate the heterocyclic carbonyl compounds and complex bioactive molecules, which is appealing

  已经证明了Pd催化的具有简单芳烃的羰基化合物的α-芳基化，可以通过位点选择性的thththrenation实现。使用th盐作为无痕芳基化试剂的一锅法工艺具有温和的条件和广泛的底物范围。另外，该方案还可以耐受杂环羰基化合物和复杂的生物活性分子，这对药物化学具有吸引力。
• 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。
• Asymmetric Intramolecular Hydroalkoxylation of Unactivated Alkenes Catalyzed by Chiral <scp> <i>N‐</i> Triflyl </scp> Phosphoramide and <scp> TiCl ₄ </scp> ^†
  作者：Pengyuan Zhao、Aolin Cheng、Xinxu Wang、Jiguo Ma、Guoqing Zhao、Yingkun Li、Yi Zhang、Baoguo Zhao

  DOI：10.1002/cjoc.201900544

  日期：2020.6

  By using a combination of a chiral N‐triflyl phosphoramide and TiCl4 as the catalyst, a new process for asymmetric intramolecular hydroalkoxylation of unactivated alkenes was developed, producing various chiral tetrahydrofuran derivatives in 51%—99% yields with 30%—71% ee's.

  通过使用手性N- triflyl磷酰胺和TiCl 4的组合，开发了一种新的未活化烯烃不对称分子内氢烷氧基化的新工艺，以51％-99％的收率和30％-71％ee的产率生产了各种手性四氢呋喃衍生物。 。
• Arylhydantoin derivatives and uses thereof
  申请人：Merck & Co., Inc.

  公开号：US06436962B1

  公开（公告）日：2002-08-20

  Arylhydantoin derivatives and their pharmaceutically acceptable salts are disclosed. The synthesis of these compounds and their use as alpha 1a adrenergic receptor antagonists is also described. One application of these compounds is in the treatment of benign prostatic hyperplasia. These compounds are typically selective in their ability to relax smooth muscle tissue enriched in the alpha 1a receptor subtype without at the same time inducing hypotension. One such tissue is found surrounding the urethral lining. Therefore, one utility of the instant compounds is to provide acute relief to males suffering from benign prostatic hyperplasia, by permitting less hindered urine flow. Another utility of the instant compounds is provided by combination with a human 5-alpha reductase inhibitory compound, such that both acute and chronic relief from the effects of benign prostatic hyperplasia can be achieved.

  本文介绍了芳基脲嘧啶衍生物及其药学上可接受的盐。还描述了这些化合物的合成和它们作为α1a肾上腺素能受体拮抗剂的用途。这些化合物的一个应用是治疗良性前列腺增生。这些化合物通常具有选择性，能够放松富含α1a受体亚型的平滑肌组织，同时不会引起低血压。这样的组织包括尿道内壁周围的组织。因此，这些化合物的一个作用是为患有良性前列腺增生的男性提供急性缓解，使尿液流动更加顺畅。这些化合物的另一个作用是与人类5α-还原酶抑制剂化合物结合，从而可以实现良性前列腺增生的急性和慢性缓解。
• Alpha 1a adrenergic receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US06274583B1

  公开（公告）日：2001-08-14

  This invention relates to certain novel compounds and derivatives thereof, their synthesis, and their use as selective alpha-1a adrenergic receptor antagonists. One application of these compounds is in the treatment of benign prostatic hyperplasia. These compounds are selective in their ability to relax smooth muscle tissue enriched in the alpha 1a receptor subtype without at the same time inducing orthostatic hypotension. One such tissue is found surrounding the urethral lining. Therefore, one utility of the instant compounds is to provide acute relief to males suffering from benign prostatic hyperplasia, by permitting less hindered urine flow. Another utility of the instant compounds is provided by combination with a human 5-alpha reductase inhibitory compound, such that both acute and chronic relief from the effects of benign prostatic hyperplasia are achieved.

  本发明涉及某些新型化合物及其衍生物，它们的合成以及它们作为选择性α-1a肾上腺素能受体拮抗剂的用途。这些化合物的一个应用是用于治疗良性前列腺增生症。这些化合物在其选择性上具有能够松弛α 1a受体亚型丰富的平滑肌组织的能力，同时不会引起直立性低血压。这样的组织包括尿道内膜周围的组织。因此，本化合物的一个用途是为男性良性前列腺增生症患者提供急性缓解，从而使尿液流动更为顺畅。本化合物的另一个用途是与人类5α-还原酶抑制剂化合物结合，从而实现对良性前列腺增生症的急性和慢性缓解。