二(对甲苯基)乙酸 | 20809-78-3

• 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
• 中文名称: 二(对甲苯基)乙酸
• 英文名称: bis-(4-methylphenyl)acetic acid
• 英文别名: Di-p-tolyl-essigsaeure；2,2-bis(4-methylphenyl)acetic acid；2,2-di-p-tolylacetic acid；di(4-methylphenyl)-acetic acid；Di-p-tolylacetic acid
• CAS: 20809-78-3
• 化学式: C₁₆H₁₆O₂
• 分子量: 240.302
• InChiKey: DRVBWVSGMCHHOU-UHFFFAOYSA-N

物化性质

• 熔点：
  144 °C
• 沸点：
  332.1±9.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916399090

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  双(4-甲基苯基)-乙醛	2,2-di-p-tolylacetaldehyde	4528-66-9	C16H16O	224.302
  1,1,1-三氯-2,2-二(对-乙基苯基)乙烷	Methylchlor	4413-31-4	C16H15Cl3	313.654

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	methyl 2,2-di-p-tolylacetate	5359-40-0	C17H18O2	254.329
  ——	ethyl 2,2-di-p-tolylacetate	23597-04-8	C18H20O2	268.356
  ——	2,2-bis(4-tolyl)ethanol	528856-88-4	C16H18O	226.318
  ——	2,2-bis(4-methylphenyl)propionic acid	58539-00-7	C17H18O2	254.329
  ——	2,2-bis(4-methylphenyl)-4-pentenoic acid	138952-03-1	C19H20O2	280.367

反应信息

• 作为反应物：
  描述：

  二(对甲苯基)乙酸 在 对甲苯磺酸一水合物 作用下， 以 甲苯 为溶剂， 生成 allyl 2,2-bis(4-methylphenyl)acetate
  参考文献：
  名称：

  Substituted-amine compound and a process for the preparation thereof

  摘要：

  化合物(-)-N-t-叔丁基-4,4-二苯基-2-环戊烯基胺或其盐酸盐具有抗胆碱能活性，因此具有各种药物用途。

  公开号：

  US05256824A1
• 作为产物：
  描述：

  4,4'-dimethylbenzil monohydrazone 在 水 作用下， 生成 二(对甲苯基)乙酸
  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

• Substituted alkyl amido piperidines
  申请人：Synaptic Pharmaceutical Corporation

  公开号：US20040186103A1

  公开（公告）日：2004-09-23

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of reducing the body mass of a subject which comprises administering to the subject an amount of a compound of the invention effective to reduce the body mass of the subject. This invention further provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject's depression and/or anxiety.

  这项发明涉及选择性拮抗黑色素浓缩激素-1（MCH1）受体的化合物。该发明提供了一种包括该发明化合物的治疗有效量和药学上可接受的载体的药物组合物。该发明提供了一种由结合本发明化合物的治疗有效量和药学上可接受的载体制成的药物组合物。该发明还提供了一种制备药物组合物的方法，包括结合本发明化合物的治疗有效量和药学上可接受的载体。该发明还提供了一种减少受试者体重的方法，包括向受试者施用本发明化合物的有效量以减少受试者的体重。该发明还提供了一种治疗患有抑郁症和/或焦虑症的受试者的方法，包括向受试者施用本发明化合物的有效量以治疗受试者的抑郁症和/或焦虑症。
• Visible-Light-Driven External-Reductant-Free Cross-Electrophile Couplings of Tetraalkyl Ammonium Salts
  作者：Li-Li Liao、Guang-Mei Cao、Jian-Heng Ye、Guo-Quan Sun、Wen-Jun Zhou、Yong-Yuan Gui、Si-Shun Yan、Guo Shen、Da-Gang Yu

  DOI：10.1021/jacs.8b08792

  日期：2018.12.19

  visible-light photoredox catalysis. A variety of tetraalkyl ammonium salts, bearing primary, secondary, and tertiary C-N bonds, undergo selective couplings with aldehydes/ketone and CO2. Notably, the in situ generated byproduct, trimethylamine, is efficiently utilized as the electron donor. Moreover, this protocol exhibits mild reaction conditions, low catalyst loading, broad substrate scope, good

  两个亲电子试剂之间的交叉亲电子试剂偶联是在化学计量外部还原剂存在下生成 CC 键的有效且经济的方法。在此，我们报告了一种通过可见光光氧化还原催化实现第一个无外部还原剂的交叉亲电子偶联的新策略。各种带有伯、仲和叔 CN 键的四烷基铵盐与醛/酮和 CO2 进行选择性偶联。值得注意的是，原位生成的副产物三甲胺被有效地用作电子供体。此外，该协议表现出温和的反应条件、低催化剂负载、广泛的底物范围、良好的官能团耐受性和容易的可扩展性。机理研究表明，苄基自由基和阴离子可能是通过光催化产生的关键中间体，
• Taming of superacids: PVP-triflic acid as an effective solid triflic acid equivalent for Friedel–Crafts hydroxyalkylation and acylation
  作者：G.K. Surya Prakash、Farzaneh Paknia、Aditya Kulkarni、Arjun Narayanan、Fang Wang、Golam Rasul、Thomas Mathew、George A. Olah

  DOI：10.1016/j.jfluchem.2014.08.020

  日期：2015.3

  superacid catalyst system in Friedel–Crafts reactions is described. In the presence of PVP-TfOH, one pot solvent-free synthesis of a wide variety of diarylacetic acid derivatives was achieved by Friedel–Crafts hydroxyalkylation reaction of glyoxylic acid with arenes under mild conditions. Acylation of both activated and deactivated aromatic compounds with acetyl chloride was also achieved using PVP-TfOH complex

  描述了聚（4-乙烯基吡啶）负载的三氟甲磺酸（PVP-TfOH，1：10）在弗瑞德-克来福特反应中作为便利的固体超强酸催化剂体系的应用。在存在PVP-TfOH的情况下，通过在温和条件下通过乙醛酸与芳烃的Friedel-Crafts羟烷基化反应，可以实现一锅无溶剂的多种二芳酸衍生物的合成。在室温下，在无溶剂条件下，使用PVP-TfOH配合物也可以使活化和失活的芳族化合物与乙酰氯酰化。由于发现聚合物负载的三氟甲磺酸是一种非常有效且易于处理的固体酸，因此它可以作为对环境更适应的强酸催化剂体系的有用补充。
• 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。
• Reactions with asymmetric diarylethanes and diarylethylenes. Part XIII. Rearrangements of 1,1-dihalogeno-2,2-diarylethanes and the corresponding 1-halogenoethylenes in boiling ethylene glycol, alone or in the presence of sodium 2-hydroxyethoxide
  作者：Alfy Badie Sakla、Wadie Tadros、Mounir Kamel Khaliel

  DOI：10.1039/j39700000409

  日期：——

  1,1-Dihalogeno-2,2-di-p-tolylethane in boiling ethylene glycol (98%) gave the corresponding 1-halogenoethylene, the corresponding stilbene, the cyclic acetal 1,1-ethylenedioxy-2,2-di-p-tolylethane, 4,4′-dimethyldeoxybenzoin, di-p-tolylacetaldehyde, and 4,4′-dimethylbenzophenone. The last three compounds are also formed when a solution of the acetal in acidified ethylene glycol (98%) is boiled. The

  在沸腾的乙二醇（98％）中的1,1-二卤代-2,2-二对甲苯甲酸酯（98％）得到相应的1-卤代乙烯，相应的，环缩醛1,1-乙烯二氧基-2,2-二-p -甲苯基甲酸酯，4,4'-二甲基脱氧苯偶姻，二-对甲苯基乙醛和4,4'-二甲基二苯甲酮。当缩醛在酸化的乙二醇（98％）中的溶液沸腾时，也会形成最后三种化合物。1-卤代乙烯在沸腾的乙二醇中生成了脱氧安息香和痕量的1,1-二对甲苯基乙烯。1，1-二氯-2，2-双-对溴苯基- （或2，2-双-对氯苯基）-乙烷进行部分脱氯化氢。