(3-amino-4-chlorophenyl)phenylmethanone | 62261-38-5

• 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: (3-amino-4-chlorophenyl)phenylmethanone
• 英文别名: 3-amino-4-chlorobenzophenone；3-amino-4-chloro-benzophenone；3-Amino-4-chlor-benzophenon；3'-amino-4'-chlorobenzophenone；(3-amino-4-chlorophenyl)-phenylmethanone
• CAS: 62261-38-5
• 化学式: C₁₃H₁₀ClNO
• 分子量: 231.681
• InChiKey: UCNNIXKXUXSHGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• 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

安全信息

• 海关编码：
  2922399090

反应信息

• 作为反应物：
  描述：

  (3-amino-4-chlorophenyl)phenylmethanone 在 氢氧化钾 作用下， 生成 (3-amino-4-chlorophenyl)(phenyl)methanol
  参考文献：
  名称：

  Montagne, Recueil des Travaux Chimiques des Pays-Bas, 1917, vol. 36, p. 260

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-3-硝基苯甲酸 在 三氯化铝 、 草酰氯 、 铁粉 、 溶剂黄146 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 (3-amino-4-chlorophenyl)phenylmethanone
  参考文献：
  名称：

  Utility of Complementary Molecular Reactivity and Molecular Recognition (CMR/R) Technology and Polymer-Supported Reagents in the Solution-Phase Synthesis of Heterocyclic Carboxamides

  摘要：

  The use of our recently reported chemical library purification strategy in the development of a herbicidal lead, N-(3-benzoylphenyl)-3-(1,1-dimethylethyl)-1-methyl-1H-pyrazole-5-carboxamide (3), is described. The approach applying fundamental properties of complementary molecular reactivity and molecular recognition (CMR/R) as the basis for a general purification strategy was utilized. Polymeric reagents were used in the synthesis to generate reactive species involved in product formation, and complementary molecular reactivity/molecular recognition polymer 8 (CMR/R polymer 8) was used in the solution-phase syntheses of building blocks, primary libraries, and lead refinement libraries. An extension of the CMR/R methodology was applied, utilizing a sequestration enabling reagent (SER), transforming a reactant into an electrophilic species sequestrable by CMR/R polymer 8. This library purification strategy enabled rapid lead generation and lead refinement to afford herbicide 27o. The CMR/R solid-phase purification technique enabled a simple, general, and powerful protocol, eliminating the usual tedious and time-consuming methods required for solution-phase product purification. The result was the synthesis of hundreds of compounds, prepared in a relatively short time, leading to a compound with a 4-fold improvement in herbicidal activity over the initial lead.

  DOI：

  10.1021/jo970571i

文献信息

• 3,4-Dihydro-2H-pyrimido(2,1-b)benzothiazoles
  申请人：Janssen Pharmaceutica N.V.

  公开号：US04471117A1

  公开（公告）日：1984-09-11

  This invention relates to 3,4-dihydro-2H-pyrimido[2,1-b]benzothiazoles displaying monoamine-oxidase inhibiting activity. The compounds are useful as antidepressants and anti-Parkinson agents.

  这项发明涉及显示单胺氧化酶抑制活性的3,4-二氢-2H-嘧啶并[2,1-b]苯并噻唑化合物。这些化合物可用作抗抑郁药和抗帕金森病药物。
• 2,3-Dihydro-imidazo[2,1-b]benzothiazole compositions to treat depressions
  申请人：Janssen Pharmaceutica, N.V.

  公开号：US04262004A1

  公开（公告）日：1981-04-14

  This invention relates to a novel series of 2,3-dihydro-imidazo[2,1-b]benzothiazoles which display monoamine oxidase inhibiting activities.

  这项发明涉及一种新颖的显示单胺氧化酶抑制活性的2,3-二氢咪唑并[2,1-b]苯并噻唑类化合物系列。
• Anilides of (<i>R</i>)-Trifluoro-2-hydroxy-2-methylpropionic Acid as Inhibitors of Pyruvate Dehydrogenase Kinase
  作者：Gregory R. Bebernitz、Thomas D. Aicher、James L. Stanton、Jiaping Gao、Suraj S. Shetty、Douglas C. Knorr、Robert J. Strohschein、Jennifer Tan、Leonard J. Brand、Charles Liu、Wei H. Wang、Christine C. Vinluan、Emma L. Kaplan、Carol J. Dragland、Dominick DelGrande、Amin Islam、Robert J. Lozito、Xilin Liu、Wieslawa M. Maniara、William R. Mann

  DOI：10.1021/jm0000923

  日期：2000.6.1

  The optimization of a series of anilide derivatives of (R)-3,3, 3-trifluoro-2-hydroxy-2-methylpropionic acid as inhibitors of pyruvate dehydrogenase kinase (PDHK) is described that started from N-phenyl-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide 1 (IC(50) = 35 +/- 1.4 microM). It was found that small electron-withdrawing groups on the ortho position of the anilide, i.e., chloro, acetyl, or bromo

  描述了从N-苯基-3,3开始优化一系列作为丙酮酸脱氢酶激酶（PDHK）抑制剂的（R）-3,3，3-三氟-2-羟基-2-甲基丙酸的苯胺衍生物，3-三氟-2-羟基-2-甲基丙酰胺1（IC（50）= 35 +/- 1.4 microM）。已经发现，在苯胺的邻位上的小的吸电子基团，即氯，乙酰基或溴，增加了20-40倍的效力。当苯胺在4位被吸电子基团（即羧基，羧酰胺和亚磺酰胺）取代时，该系列化合物的口服生物利用度最佳（通过AUC测定）。N-（2-氯-4-异丁基氨磺酰基苯基）-（R）-3,3,3-三氟-2-羟基-2-甲基丙酰胺（10a）在主酶分析中抑制PDHK，IC（50）为13 + /-1.5 nM，增强人成纤维细胞中[[14] C]乳酸盐氧化成（14）CO（2）的活性，口服剂量低至30 micromol / kg后2.5和5 h显着降低血液乳酸水平，并增加肌肉，肾脏，肝脏和心脏组织中的PDH。但是
• Alpha-substituted benzhydrol derivatives
  申请人：Richter Gedeon Vegyeszeti Gyar Rt.

  公开号：US04094908A1

  公开（公告）日：1978-06-13

  The invention relates to new .alpha.-substituted benzhydrols and pharmaceutically acceptable acid addition salts or quaternary ammonium salts thereof with enzyme promoting or inhibiting effects;

  该发明涉及具有酶促进或抑制作用的新的α-取代苯基甘醇和药用可接受的酸盐或季铵盐。
• .alpha.-Substituted benzhydrol derivatives and a process for the
  申请人：Richter Gedeon Vegyeszeti Gyar Rt.

  公开号：US04039589A1

  公开（公告）日：1977-08-02

  A compound of the formula: ##STR1## wherein Z is ethyl or vinyl, R.sub.1 and R.sub.2 are hydrogen, lower alkyl, lower alkenyl or trihalomethyl, R.sub.3 and R.sub.4 are hydrogen, lower alkyl, lower alkenyl, trihalomethyl, cyclopentyl, benzyl or phenyl, and R.sub.5 is lower alkyl, lower alkenyl, trihalomethyl, cyclopentyl, benzyl, or phenyl with the proviso that where R.sub.1, R.sub.2, R.sub.3 and R.sub.4 each is hydrogen, R.sub.5 is not methyl attached to the 4-position of the benzene ring, or a pharmaceutically acceptable acid addition or quaternary ammonium salt thereof is disclosed as effective in the regulation of the liver microsomal enzyme system.

  该化合物的结构式为：##STR1## 其中Z为乙基或乙烯基，R.sub.1和R.sub.2为氢、低碳烷基、低碳烯基或三卤甲基，R.sub.3和R.sub.4为氢、低碳烷基、低碳烯基、三卤甲基、环戊基、苄基或苯基，R.sub.5为低碳烷基、低碳烯基、三卤甲基、环戊基、苄基或苯基，但其中R.sub.1、R.sub.2、R.sub.3和R.sub.4各自为氢时，R.sub.5不是连接到苯环的4位的甲基，或其药学上可接受的酸盐或季铵盐被披露为对肝微粒体酶系统的调节有效。