2-羟基-2,2-二(4-甲基苯基)乙酸 | 2695-79-6

• 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: 2-羟基-2,2-二(4-甲基苯基)乙酸
• 英文名称: bis-p-tolylhydroxyacetic acid
• 英文别名: α-carboxybis(p-methylphenyl)methanol；4,4'-dimethylbenzilic acid；4,4'-dimethyl-benzilic acid；4,4'-Dimethyl-benzilsaeure；Di-p-tolyl-glykolsaeure；α-Oxy-4.4'-dimethyl-diphenylmethan-α-carbonsaeure；Hydroxy[bis(4-methylphenyl)]acetic acid；2-hydroxy-2,2-bis(4-methylphenyl)acetic acid
• CAS: 2695-79-6
• 化学式: C₁₆H₁₆O₃
• 分子量: 256.301
• InChiKey: CWIBSQNDPRRQEM-UHFFFAOYSA-N

物化性质

• 熔点：
  135 °C
• 沸点：
  436.5±40.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 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：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2918199090

反应信息

• 作为反应物：
  描述：

  2-羟基-2,2-二(4-甲基苯基)乙酸 在 硫酸 、 四氯化锡 、 苯 作用下， 生成 1-hydroxy-4-(α-hydroxy-4,4'-dimethyl-benzhydryl)-[2]naphthoic acid
  参考文献：
  名称：

  Zaleska-Mazurkiewicz; Bistrzycki, Chemische Berichte, 1912, vol. 45, p. 1437

  摘要：

  DOI：
• 作为产物：
  描述：

  对甲基苯甲醛 在 氧气 、 1-butyl-3-methylimidazolium Tetrafluoroborate 、 potassium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 0.42h， 以78%的产率得到2-羟基-2,2-二(4-甲基苯基)乙酸
  参考文献：
  名称：

  离子液体/氢氧化钾催化的无溶剂微波催化一锅合成芳基乙二酸

  摘要：

  与KOH结合的离子液体可在无溶剂条件下使用常规加热以及微波辐射，以合理的高收率从芳族醛中高效高效地一锅合成绿色的α，α-二芳基乙醇酸。

  DOI：

  10.1016/j.tetlet.2011.03.020

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。
• Studies on antidiabetic agents. III. 5-Arylthiazolidine-2,4-diones as potent aldose reductase inhibitors.
  作者：TAKASHI SOHDA、KATSUTOSHI MIZUNO、EIKO IMAMIYA、HIROYUKI TAWADA、KANJI MEGURO、YUTAKA KAWAMATSU、YUJIRO YAMAMOTO

  DOI：10.1248/cpb.30.3601

  日期：——

  Thiazolidine-2, 4-dione derivatives having one or two substituent (s) such as phenyl, heteryl and alkyl group (s) at the 5-position were synthesized and evaluated as aldose reductase inhibitors. Inhibition by the active compounds of the swelling of the lens in a rat-lens-culture assay was also measured. Among these compounds, a series of 5-(3, 4-dialkoxyphenyl) thiazolidine-2, 4-diones showed pronounced activities in both assays. Structure-activity relationships are discussed and a new approach to the synthesis of 5-arylthiazolidine-2, 4-diones is described.

  具有一个或两个取代基（如苯基、杂基和烷基）的噻唑烷-2,4-二酮衍生物在5位合成并评估为醛糖还原酶抑制剂。在鼠晶状体培养检测中，活性化合物的抑制作用也被测量。在这些化合物中，一系列5-(3,4-二烷氧基苯基)噻唑烷-2,4-二酮在两种检测中显示出显著的活性。结构-活性关系进行了讨论，并描述了一种合成5-芳基噻唑烷-2,4-二酮的新方法。
• Syntheses of Benzilic Acids through Electrochemical Reductive Carboxylation of Benzophenones in the Presence of Carbon Dioxide
  作者：Yoshikazu Ikeda、Eiichiro Manda

  DOI：10.1246/bcsj.58.1723

  日期：1985.6

  Reaction conditions for the electrochemical synthesis of benzilic acid (2a) under the atmosphere of carbon dioxide was investigated from the preparative points of view. The highest yield of 2a (86%) was obtained under the following conditions; cathode: mercury, electricity passed: 2.3 F/mol, constant current density: 2.5 mA/cm2, benzophenone (1a) (8.2×10−3mol), electrolyte(KI, 1.7×10−2mol) in DMF (50

  从制备的角度研究了在二氧化碳气氛下电化学合成二苯甲酸 (2a) 的反应条件。2a 的最高收率 (86%) 在以下条件下获得；阴极：汞，电流通过：2.3 F/mol，恒流密度：2.5 mA/cm2，二苯甲酮（1a）（8.2×10-3mol），DMF（50ml）中的电解质（KI，1.7×10-2mol）。该方法和条件应用于 12 种苯甲酸 (2b-2m) 的合成，并产生了 10-92% 的酸。产率很大程度上取决于取代基的电子效应，当环取代基为 NO2、OH 或 Br 基团时，未获得苯甲酸。
• Quinuclidine derivatives and their use as muscarinic M3 receptor ligands
  申请人：——

  公开号：US20030055080A1

  公开（公告）日：2003-03-20

  A compound according to formula (I) 1 wherein: is a phenyl ring, a C 4 to C 9 heteroaromatic compound containing one or more heteroatoms, or a naphthalenyl, 5,6,7,8-tetrahydronaphthalenyl or biphenyl group; R 1 , R 2 and R 3 each independently represent a hydrogen or halogen atom, or a hydroxy group, or a phenyl, —OR 4 , —SR 4 , —NR 4 R 5 , —NHCOR 4 , —CONR 4 R 5 , —CN, —NO 2 , —COOR 4 or —CF 3 group, or a straight or branched lower alkyl group which may optionally be substituted, for example, with a hydroxy or alcoxy group, wherein R 4 and R 5 each independently represent a hydrogen atom, straight or branched lower alkyl group, or together form an alicyclic ring; or R 1 and R 2 together form an aromatic, alicyclic or heterocyclic ring; n is an integer from 0 to 4; A represents a —CH 2 —, —CH═CR 6 , —CR 6 =CH—, —CR 6 R 7 —, —CO—, —O—, —S—, —S(O)—, SO 2 or —NR 6 — group, wherein R 6 and R 7 each independently represent a hydrogen atom, straight or branched lower alkyl group, or R 6 and R 7 together form an alicyclic ring; m is an integer from 0 to 8; provided that when m= 0 , A is not —CH 2 —; p is an integer from 1 to 2 and the substitution in the azoniabicyclic ring may be in the 2, 3 or 4 position including all possible configurations of the asymmetric carbons; B represents a group of formula i) or ii): 2 wherein R 10 represents a hydrogen atom, a hydroxy or methyl group; and R 8 and R 9 each independently represents 3 wherein R 11 represents a hydrogen or halogen atom, or a straight or branched lower alkyl group and Q represents a single bond, —CH 2 —, —CH 2 —CH 2 —, —O—, —O—CH 2 —, —S—, —S—CH 2 — or —CH═CH—, and when i) or ii) contain a chiral centre they may represent either configuration; X represents a pharmaceutically acceptable anion of a mono or polyvalent acid, which shows high affinity for muscarinic M 3 receptors (Hm3).

  根据公式（I）1，其中：是苯环，含有一个或多个杂原子的C4至C9杂芳族化合物，或者是萘基、5,6,7,8-四氢萘基或联苯基；R1、R2和R3分别独立表示氢或卤素原子，或羟基，或苯基，—OR4，—SR4，—NR4R5，—NHCOR4，—CONR4R5，—CN，—NO2，—COOR4或—CF3基团，或直链或支链的较低烷基基团，该基团可以选择性地被取代，例如，取代物可以是羟基或醇基，其中R4和R5分别独立表示氢原子，直链或支链较低烷基基团，或者共同形成脂环；或R1和R2共同形成芳香族、脂环或杂环；n是从0到4的整数；A表示—CH2—，—CH═CR6，—CR6=CH—，—CR6R7—，—CO—，—O—，—S—，—S(O)—，SO2或—NR6—基团，其中R6和R7分别独立表示氢原子，直链或支链较低烷基基团，或R6和R7共同形成脂环；m是从0到8的整数；但是当m=0时，A不是—CH2—；p是从1到2的整数，而在azoniabicyclic环中的取代物可以在2、3或4位置，包括所有可能的手性碳的构型；B表示i)或ii)式的基团，其中R10表示氢原子，羟基或甲基基团；而R8和R9分别表示，其中R11表示氢或卤素原子，或直链或支链较低烷基基团，Q表示单键，—CH2—，—CH2—CH2—，—O—，—O—CH2—，—S—，—S—CH2—或—CH═CH—，当i)或ii)含有手性中心时，它们可以代表任何构型；X表示单价或多价酸的药学上可接受的阴离子，该阴离子对Hm3亲和力高的胆碱能M3受体具有高亲和力。
• Microwave-assisted Heterogeneous Benzil–Benzilic Acid Rearrangement
  作者：Hui-Ming Yu、Same-Ting Chen、Min-Jen Tseng、Shui-Tein Chen、Kung-Tsung Wang

  DOI：10.1039/a805255g

  日期：——

  A new procedure for carrying out the benzil–benzilic acid rearrangement in the solid state has been developed which provides a new route to synthesize the pharmacologically interesting anticonvulsant dilantin.

  一种新的固态苯基–苯基酸重排程序已经开发出来，这为合成具有药理学兴趣的抗癫痫药物苯妥英提供了一条新路线。