4-(苯基氨基)苯甲酸 | 17040-20-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(苯基氨基)苯甲酸
• 英文名称: 4-phenylaminobenzoic acid
• 英文别名: 4-(Phenylamino)benzoic acid；4-anilinobenzoic acid
• CAS: 17040-20-9
• 化学式: C₁₃H₁₁NO₂
• 分子量: 213.236
• InChiKey: DPAMLADQPZFXMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  储存条件：2-8℃，请密封并置于干燥处。

反应信息

• 作为反应物：
  描述：

  4-(苯基氨基)苯甲酸 在 硫酸 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 17.0h， 生成 4-(phenylamino)benzohydrazide
  参考文献：
  名称：

  Shahar Yar; Ahmad Siddiqui; Ashraf Ali, Journal of the Chinese Chemical Society, 2007, vol. 54, # 1, p. 5 - 8

  摘要：

  DOI：
• 作为产物：
  描述：

  N-phenyl-4-trifluoromethylacetanilide 在 盐酸 、 sodium carbonate 作用下， 以 乙醇 为溶剂， 生成 4-(苯基氨基)苯甲酸
  参考文献：
  名称：

  Kozachuk,D.N. et al., Journal of Organic Chemistry USSR (English Translation), 1974, vol. 10, p. 1239 - 1243

  摘要：

  DOI：

文献信息

• Activation of Aryl Carboxylic Acids by Diboron Reagents towards Nickel‐Catalyzed Direct Decarbonylative Borylation
  作者：Xi Deng、Jiandong Guo、Xiaofeng Zhang、Xiaotai Wang、Weiping Su

  DOI：10.1002/anie.202106356

  日期：2021.11.8

  A Ni-catalyzed direct decarbonylative borylation of aryl carboxylic acids with B2cat2 has been established. B2cat2 serves as a borylating agent, but also activates the carboxylic acid substrate towards decarbonylative coupling, playing a dual role in this reaction. A combination of experimental and computational studies reveals that the reaction proceeds through a hitherto unknown concerted decarbonylation

  已经建立了镍催化的芳基羧酸与 B 2 cat 2 的直接脱羰硼酰化反应。B 2 cat 2作为硼酸化剂，但也活化羧酸底物以进行脱羰偶联，在该反应中发挥双重作用。实验和计算研究的结合表明，该反应通过迄今为止未知的协同脱羰和还原消除步骤进行。
• [EN] NOVEL METHOXYBENZAMIDE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS<br/>[FR] NOUVEAUX COMPOSES DE METHOXYBENZAMIDE DESTINES A ETRE UTILISES DANS LE TRAITEMENT DES TROUBLES LIES AU RECEPTEUR DE MCH
  申请人：7TM PHARMA AS

  公开号：WO2003087045A1

  公开（公告）日：2003-10-23

  Novel compounds of Formula (I) which modulate MCH activity are disclosed, in which A is a linker; Ar1 is an aryl or heteroaryl group; R1 is a lower alkoxy group; R2 is an R1 group or hydrogen, an OH or an NH2 group, Q together with the carbonyl forms an amide group, which is further substituted with an amine group; R5 is selected from hydrogen, halogen atoms, alkoxy groups, hydroxy, alkylamino groups, dialkylamino groups, hydroxylalkyl groups, carboxamido groups, acylamido groups, acyl groups, -CHO, nitrile, alkyl, alkenyl or alkynyl groups, -SCH3, partially or fully fluorinated alkyl, alkoxy or thioalkoxy groups such as -CH2CF3, -CF2CF3, -CF3, -OCF3, -SCF3; -SO2NH2, -SO2NHAlk, -SO2NAlk2, -SO2Alk; X is H, F, Cl, Br, I, -SCH3, -CF3, -OCF3, -SCF3, OCH3, or lower alkyl or alkenyl group; R8 is halogen atoms, alkyl, alkenyl or alkynyl groups, cycloalkyl groups, aryl groups, heteroaryl groups, heterocyclyl groups, alkylcycloalkyl groups, alkylaryl groups, alkylheterocyclyl groups, alkylheteroaryl groups, arylalkoxy groups, aryloxy groups, alkoxy groups, dialkylamino groups, -CONHAlk, -CONHAr, -CONAlk2, -NHCO-Alk, -NHCO-Ar, -CO-Alk, -CO-Ar, -SCH3, partially or fully fluorinated alkyl, alkoxy or thioalkoxy groups; or R8 is R6-Ar2-B-, in which B is a single bond or a connecting moiety; Ar2 is an Ar1 group; R6 is an R5 group; and which are useful in the treatment or prevention of e.g. obesity, depression, diabetes, bulimia etc.

  化合物的新颖化合物的公式（I），其调节MCH活性，其中A是连接剂；Ar1是芳基或杂芳基；R1是较低的烷氧基团；R2是R1基团或氢，OH或NH2基团，Q与羰基一起形成酰胺基团，该基团进一步被氨基团取代；R5从氢，卤素原子，烷氧基团，羟基，烷基氨基团，二烷基氨基团，羟基烷基基团，羧酰胺基团，酰胺基团，酰基，-CHO，腈，烷基，烯基或炔基团，-SCH3，部分或完全氟化的烷基，烷氧基或硫代烷氧基团，如-CH2CF3，-CF2CF3，-CF3，-OCF3，-SCF3；-SO2NH2，-SO2NHAlk，-SO2NAlk2，-SO2Alk；X是H，F，Cl，Br，I，-SCH3，-CF3，-OCF3，-SCF3，OCH3，或较低的烷基或烯基基团；R8是卤素原子，烷基，烯基或炔基团，环烷基团，芳基，杂芳基，杂环烷基团，烷基环烷基团，烷基芳基团，烷基杂环烷基团，烷基杂芳基团，芳基烷氧基团，芳氧基团，烷氧基团，二烷基氨基团，-CONHAlk，-CONHAr，-CONAlk2，-NHCO-Alk，-NHCO-Ar，-CO-Alk，-CO-Ar，-SCH3，部分或完全氟化的烷基，烷氧基或硫代烷氧基团；或R8是R6-Ar2-B-，其中B是单键或连接基；Ar2是Ar1基团；R6是R5基团；在治疗或预防肥胖，抑郁症，糖尿病，暴食症等方面是有用的。
• [EN] THERMOPLASTIC POLYMER COMPOSITION<br/>[FR] COMPOSITION DE POLYMÈRE THERMOPLASTIQUE
  申请人：MILLIKEN & CO

  公开号：WO2015042561A1

  公开（公告）日：2015-03-26

  The invention provides a thermoplastic polymer composition comprising a polyolefin polymer and a nucleating agent. The nucleating agent comprises a compound conforming to the structure of Formula (I). The invention also provides a series of compounds encompassed by the structure of Formula (I).

  这项发明提供了一种热塑性聚合物组合物，包括聚烯烃聚合物和成核剂。该成核剂包括符合式(I)结构的化合物。该发明还提供了一系列符合式(I)结构的化合物。
• Palladium-catalyzed coupling reaction of amino acids (esters) with aryl bromides and chlorides
  作者：Fangfang Ma、Xiaomin Xie、Lina Ding、Jinsheng Gao、Zhaoguo Zhang

  DOI：10.1016/j.tet.2011.09.109

  日期：2011.12

  showed high efficiency for the coupling reactions of amino acids and inactive aryl halides to give N-aryl amino acids. Under the catalytic conditions, not only α-amino acids, but also β-, γ-, and δ-amino acids have been coupled with aryl chlorides in moderate to high yields; in the case of optically pure β-amino acids as substrates, the optical purities of the coupling products retained.

  庞大且富电子的MOP型配体和Pd（dba）2组合对氨基酸与非活性芳基卤化物的偶合反应显示出N-芳基氨基酸的高效反应。在催化条件下，不仅α-氨基酸，而且β-，γ-和δ-氨基酸都以中等至高收率与芳基氯偶合。在光学纯的β-氨基酸作为底物的情况下，保留了偶联产物的光学纯度。
• [EN] GLUCAGON ANTAGONISTS<br/>[FR] ANTAGONISTES DU GLUCAGON
  申请人：LIGAND PHARM INC

  公开号：WO2015191900A1

  公开（公告）日：2015-12-17

  Provided herein are compounds, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or co-crystals and prodrugs thereof which have glucagon receptor antagonist or inverse agonist activity. Further, provided herein are pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucagon receptor antagonist is indicated, including Type I and II diabetes, insulin resistance and hyperglycemia. Moreover, provided herein are methods of making or manufacturing compounds disclosed herein, including enantiomerically pure forms thereof, and pharmaceutically acceptable salts or co-crystals and prodrugs thereof.

  本文提供了化合物，包括其对映体纯形式，以及具有胰高血糖素受体拮抗剂或逆向激动剂活性的药用盐或共晶体及前药。此外，本文提供了包括这些化合物的药物组合物，以及治疗、预防、延缓发病时间或减少一种或多种胰高血糖素受体拮抗剂适用的疾病或症状的发展或进展风险的方法，包括I型和II型糖尿病、胰岛素抵抗和高血糖。此外，本文提供了制备或生产本文披露的化合物的方法，包括其对映体纯形式，以及药用盐或共晶体及前药。