{2-chloro-4-[(3-chlorophenyl)amino]phenyl}(2-methylphenyl)methanone

• 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: {2-chloro-4-[(3-chlorophenyl)amino]phenyl}(2-methylphenyl)methanone
• 英文别名: 2-Chloro-4-(3-chloro-phenylamino)-2'-methylbenzophenone；[2-Chloro-4-(3-chloroanilino)phenyl]-(2-methylphenyl)methanone
• 化学式: C₂₀H₁₅Cl₂NO
• 分子量: 356.251
• InChiKey: ZZJCFYROROWZKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  间氯溴苯 、 (4-氨基-2-氯苯基)(2-甲苯基)甲酮 在 palladium diacetate sodium t-butanolate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 甲苯 、 叔丁醇 为溶剂， 反应 0.05h， 以79%的产率得到{2-chloro-4-[(3-chlorophenyl)amino]phenyl}(2-methylphenyl)methanone
  参考文献：
  名称：

  Rapid and Efficient Microwave-Assisted Synthesis of Aryl Aminobenzophenones Using Pd-Catalyzed Amination

  摘要：

  Substituted aryl aminobenzophenone p38 MAP kinase inhibitors were synthesized in good to excellent yields using palladium-catalyzed aryl amination under conditions of microwave irradiation. Various ligands have been screened, and the reaction conditions were optimized. These coupling reactions are suitable for various anilines and aryl bromides that bear a variety of functional groups. Some leaving groups (iodides, chlorides, triflates, and tosylates) other than bromides have also been investigated. By this method, a large number of aryl aminobenzophenone p38 MAP kinase inhibitors were prepared in short order.

  DOI：

  10.1021/jo049572i

文献信息

• Aminobenzophenones as inhibitors of il 1b and tnf
  申请人：——

  公开号：US20030013770A1

  公开（公告）日：2003-01-16

  A compound of the general formula I 1 wherein R 1 represents a substituent selected from the group consisting of halogen, hydroxy, mercapto, trifluoromethyl, amino, (C 1 -C 3 )alkyl, (C 2 -C 3 )olefinic group, (C 1 -C 3 )alkoxy, (C 1 -C 3 )alkylthio, (C 1 -C 6 )alkylamino, (C 1 -C 3 )alkoxycarbonyl, cyano, —CONH 2 , phenyl, and nitro; R 2 represents one or more, same or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, amino, (C 1 -C 3 )alkyl, (C 2 -C 3 )olefinic group, (C 1 -C 3 )alkoxy, (C 1 -C 3 )alkylthio, (C 1 -C 6 )alkylamino, (C 1 -C 3 )alkoxycarbonyl, cyano, —CONH 2 , phenyl, and nitro; R 3 represents one or more, same or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, cyano, carboxy, carbamoyl, (C 1 -C 10 )alkyl, (C 2 -C 10 )olefinic group, (C 3 -C 8 )monocyclic hydrocarbon group, (C 1 -C 10 )alkoxy, (C 1 -C 10 )alkylthio, (C 1 -C 10 )alkoxycarbonyl, and phenyl; R 4 represents hydrogen, (C 1 -C 6 )alkyl, (C 2 -C 6 )olefinic group, or (C 3 -C 6 )monocyclic hydrocarbon group; R 5 represents one or more, same or different substituents selected from the group consisting of hydrogen and R 1 ; X represents oxygen, sulphur, or N—OH; and salts thereof with pharmaceutically acceptable acids, hydrates and solvates, may be used in the prophylaxis or treatment of inflammatory diseases.

  一种通式为I1的化合物，其中R1代表从卤素、羟基、巯基、三氟甲基、氨基、(C1-C3)烷基、(C2-C3)烯基、(C1-C3)烷氧基、(C1-C3)烷硫基、(C1-C6)烷基氨基、(C1-C3)烷氧羰基、氰基、-CONH2、苯基和硝基中选择的取代基；R2代表从氢、卤素、羟基、巯基、三氟甲基、氨基、(C1-C3)烷基、(C2-C3)烯基、(C1-C3)烷氧基、(C1-C3)烷硫基、(C1-C6)烷基氨基、(C1-C3)烷氧羰基、氰基、-CONH2、苯基和硝基中选择的一个或多个相同或不同的取代基；R3代表从氢、卤素、羟基、巯基、三氟甲基、氰基、羧基、氨基、(C1-C10)烷基、(C2-C10)烯基、(C3-C8)单环碳氢基团、(C1-C10)烷氧基、(C1-C10)烷硫基、(C1-C10)烷氧羰基和苯基中选择的一个或多个相同或不同的取代基；R4代表氢、(C1-C6)烷基、(C2-C6)烯基或(C3-C6)单环碳氢基团；R5代表从氢和R1中选择的一个或多个相同或不同的取代基；X代表氧、硫或N-OH；以及其与药学上可接受的酸盐、水合物和溶剂化合物，可用于预防或治疗炎症性疾病。
• Dermal anti-inflammatory composition
  申请人：——

  公开号：US20020165286A1

  公开（公告）日：2002-11-07

  A pharmaceutical composition for dermal application comprises a lipophilic anti-inflammatory compound and a pharmaceutically acceptable vehicle comprising a lipophilic excipient capable of solubilizing the anti-inflammatory compound and targeting said compound to the pilosebaceous ducts on application of the composition on the skin. The composition may be used in the treatment of dermal inflammatory conditions, in particular acne.

  一种用于皮肤应用的制剂，包括一个亲脂性抗炎化合物和一种药学上可接受的载体，该载体包括一种亲脂性赋形剂，能够溶解抗炎化合物并将该化合物靶向应用于皮肤上的毛囊皮脂导管。该制剂可用于治疗皮肤炎症状况，特别是痤疮。
• AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA
  申请人：LEO PHARMACEUTICAL PRODUCTS LTD. A/S(LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB)

  公开号：EP1237845A1

  公开（公告）日：2002-09-11
• ＩＬ−１βおよびＴＮＦ−αの抑制剤としてのアミノベンゾフェノン
  申请人：レオ ファーマ アクティーゼルスカブ

  公开号：JP4684515B2

  公开（公告）日：2011-05-18
• US6541670B2
  申请人：——

  公开号：US6541670B2

  公开（公告）日：2003-04-01