4-amino-4‘-phenylbenzophenone | 71969-47-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-amino-4‘-phenylbenzophenone
• 英文别名: (4-aminophenyl)biphenyl-4-ylmethanone；4-amino-4'-phenyl-benzophenone；4-Amino-4'-phenyl-benzophenon；(4-Amino-phenyl)-(biphenyl-(4))-keton；[1,1'-Biphenyl]-4-yl(4-aminophenyl)methanone；(4-aminophenyl)-(4-phenylphenyl)methanone
• CAS: 71969-47-6
• 化学式: C₁₉H₁₅NO
• 分子量: 273.334
• InChiKey: VQZHILQXIMVRCH-UHFFFAOYSA-N

物化性质

• 熔点：
  203-204 °C
• 沸点：
  485.4±38.0 °C(Predicted)
• 密度：
  1.162±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-amino-4‘-phenylbenzophenone 在 sodium hydroxide 、 sodium acetate 、 锌 作用下， 生成 acetoxy-(4-acetylamino-phenyl)-biphenyl-4-yl-methane
  参考文献：
  名称：

  Dilthey et al., Journal fur praktische Chemie (Leipzig 1954), 1932, vol. <2>134, p. 188,207

  摘要：

  DOI：
• 作为产物：
  描述：

  4-联苯基-4-硝基苯基甲酮 在 盐酸 、 溶剂黄146 、 tin(ll) chloride 作用下， 生成 4-amino-4‘-phenylbenzophenone
  参考文献：
  名称：

  Dilthey et al., Journal fur praktische Chemie (Leipzig 1954), 1932, vol. <2>135, p. 36,44

  摘要：

  DOI：

文献信息

• Azo bond formation on metal surfaces
  作者：Xiangzhi Meng、Henning Klaasen、Lena Viergutz、Bertram Schulze Lammers、Melanie C. Witteler、Harry Mönig、Saeed Amirjalayer、Lacheng Liu、Johannes Neugebauer、Hong‐Ying Gao、Armido Studer、Harald Fuchs

  DOI：10.1002/anie.202011858

  日期：2021.1.18

  precursors containing both an amino and a nitro functionality, azo polymers are prepared on surface via highly efficient nitro‐amino cross‐coupling. Experiments conducted on other substrates and surface orientations reveal that the metal surface has a significant effect on the reaction efficiency. The reaction was further found to proceed from partially oxidized/reduced precursors in dimerization reactions

  通过硝基芳烃和芳胺的氧化还原交叉偶联形成偶氮化合物，这对溶液相化学具有挑战性，这是通过表面化学实现的。反应产物用低温扫描隧道显微镜（STM）和X射线光电子能谱（XPS）进行分析。通过使用精心设计的同时包含氨基和硝基官能团的前体，可通过高效的硝基-氨基交叉偶联在表面制备偶氮聚合物。在其他基材和表面取向上进行的实验表明，金属表面对反应效率有重大影响。进一步发现该反应是由二聚反应中的部分氧化/还原的前体进行的，从而阐明了通过DFT计算研究的机理。
• [EN] AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF<br/>[FR] AMINOBENZOPHENONES EN TANT QU'INHIBITEURS D'INTERLEUKINE ET DE TNF
  申请人：LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB)

  公开号：WO1998032730A1

  公开（公告）日：1998-07-30

  (EN) The compounds of the present invention are represented by general formula (I) in which formula R1 and R2 stand independently for one or more, similar or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, amino, alkyl, alkoxy, alkylthio, alkylamino, or alkoxycarbonyl, the C-content of which can be from 1 to 5, cyano, carboxy, carbamoyl, phenyl, or nitro; R3 stands for hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, amino, alkyl, alkoxy, alkylthio, alkylamino, or alkoxycarbonyl, the C-content of which can be from 1 to 5, phenyl, cyano, carboxy, or carbamoyl; R4, R5 and R6 stand independently for hydrogen, trifluoromethyl, alkyl, carbamoyl, alkoxycarbonyl, or alkyloxo, the C-content of which can be from 1 to 5; X stands for oxygen, N-OH, N-O-alkyl, dialkoxy, cyclic dialkoxy, dialkylthio, or cyclic dialkylthio, the C-content of which can be from 1 to 5. The present compounds are of value in the human and veterinary practice as systemic and topical therapeutic agents for the treatment and prophylaxis of asthma, allergy, rheumatoid arthritis, spondyloarthritis, gout, atherosclerosis, chronic inflammatory bowel disease, proliferative and inflammatory skin disorders, such as psoriasis, and atopic dermatitis.(FR) Composés représentés par la formule suivante (I) dans laquelle R1 et R2 représentent indépendamment un ou plusieurs substituants semblables ou différents sélectionnés dans le groupe constitué par hydrogène, halogène, hydroxy, mercapto, trifluorométhyle, amino, alkyle, alkoxy, alkylthio, alkylamino ou alkoxycarbonyle, dont la teneur en C peut être de 1 à 5, cyano, carboxy, carbamoyle, phényle ou nitro; R3 représente hydrogène, halogène, hydroxy, mercapto, trifluorométhyle, amino, alkyle, alkoxy, alkylthio, alkylamino ou alkoxycarbonyle, dont la teneur en C peut être de 1 à 5, phényle, cyano, carboxy ou carbamoyle; R4, R5 et R6 représentent indépendamment hydrogène, trifluorométhyle, alkyle, carbamoyle, alkoxycarbonyle ou alkyloxo, dont la teneur en C peut être de 1 à 5; X représente oxygène, N-OH, N-O- alkyle, dialkoxy, dialkoxy cyclique, dialkylthio ou dialkylthio cyclique, dont la teneur en C peut être de 1 à 5. Ces composés sont utiles dans les domaines médicaux et vétérinaires en tant qu'agents thérapeutiques systémiques et topiques pour le traitement et la prophylaxie de l'asthme, de l'allergie, de la polyarthrite rhumatoïde, de la spondylarthrite, de la goutte, de l'athérosclérose, de la maladie chronique intestinale inflammatoire, de maladies de la peau prolifératives et inflammatoires, telles que le psoriasis et l'eczéma constitutionnel.

  本发明的化合物由一般式（I）表示，其中R1和R2分别代表氢、卤素、羟基、巯基、三氟甲基、氨基、烷基、烷氧基、烷硫基、烷基氨基或烷氧羰基等一种或多种相似或不同的取代基，其C含量可以为1至5，还可以是氰基、羧基、氨基甲酰基、苯基或硝基；R3代表氢、卤素、羟基、巯基、三氟甲基、氨基、烷基、烷氧基、烷硫基、烷基氨基或烷氧羰基等一种或多种相似或不同的取代基，其C含量可以为1至5，还可以是苯基、氰基、羧基或氨基甲酰基；R4、R5和R6分别代表氢、三氟甲基、烷基、氨基甲酰基、烷氧羰基或烷氧基等一种或多种相似或不同的取代基，其C含量可以为1至5；X代表氧、N-OH、N-O-烷基、二烷氧基、环状二烷氧基、二烷基硫或环状二烷基硫等一种或多种相似或不同的取代基，其C含量可以为1至5。这些化合物在人类和兽医实践中作为系统和局部治疗剂，用于治疗和预防哮喘、过敏、类风湿性关节炎、脊柱关节炎、痛风、动脉硬化、慢性炎症性肠病、增生性和炎症性皮肤疾病，如银屑病和特应性皮炎等，具有重要的价值。
• POLYACETYLINIC OLIGOMERS
  申请人：Tsotsis Thomas K.

  公开号：US20100204485A1

  公开（公告）日：2010-08-12

  Polyacetylinic oligomers suitable for high-temperature polymer-matrix composites are provided. The polyacetylinic oligomers have the formula: D-A-D wherein D is an endcap including at least one crosslinking functionality; and A is backbone selected from the group consisting of imidesulfone; ether; ethersulfone; amide; imide; ester; estersulfone; etherimide; amideimide; oxazole; oxazole sulfone; thiazole; thiazole sulfone; imidazole; and imidazole sulfone. At least one ethynyl functional group, however, is incorporated into the backbone such that crosslinking is not only realized at the endcaps but also at the ethynyl groups within the backbone of the oligomer itself.

  提供适用于高温聚合物基复合材料的聚乙炔寡聚体。该聚乙炔寡聚体具有以下公式：D-A-D，其中D是至少包括一个交联功能的末端盖；而A是从亚砜酰胺、醚、醚砜、酰胺、亚酰胺、酯、酯砜、醚亚酰胺、酰胺亚酰胺、噁唑、噁唑砜、噻唑、噻唑砜、咪唑和咪唑砜组成的主链。但是，至少一个乙炔官能团被并入到主链中，使得交联不仅在末端盖处实现，而且在寡聚体本身的主链中的乙炔基团处也能实现交联。
• DE2903709
  申请人：——

  公开号：——

  公开（公告）日：——
• Discovery of new cholesteryl ester transfer protein inhibitors via ligand-based pharmacophore modeling and QSAR analysis followed by synthetic exploration
  作者：Reema Abu Khalaf、Ghassan Abu Sheikha、Yasser Bustanji、Mutasem O. Taha

  DOI：10.1016/j.ejmech.2009.12.070

  日期：2010.4

  Cholesteryl ester transfer protein (CETP) is involved in trafficking lipoprotein particles and neutral lipids between HDL and LDL and therefore is considered a valid target for treating dyslipidemic conditions and complications. Pharmacophore modeling and quantitative structure-activity relationship (QSAR) analysis were combined to explore the structural requirments for potent CETP inhibitors. Two pharmacophores emerged in the optimal QSAR equation (r(2) = 0.800, n = 96, F = 72.1. r(LOO)(2) = 0.775, r(PRESS)(2) against 22 external test inhibitors = 0.707) suggesting the existence of at least two distinct binding modes accessible to ligands within CETP binding pocket. The successful pharmacophores were complemented with strict shape constraints in an attempt to optimize their receiver-operating characteristic (ROC) curve profiles.The validity of our modeling approach was experimentally established by the identification of several CETP inhibitory leads retrieved via in silk screening of the National Cancer Institute (NCI) list of compounds and an in house built database of drugs and agrochemicals. Two hits illustrated low micromolar IC50 values: NSC 40331 (IC50 = 6.5 mu M) and NSC 89508 (IC50 = 1.9 mu M). Active hits were then used to guide synthetic exploration of a new series of CETP inhibitors. (c) 2010 Elsevier Masson SAS. All rights reserved.