2-methyl-3-amino-4'-chloro-benzophenone | 41652-29-3

• 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-methyl-3-amino-4'-chloro-benzophenone
• 英文别名: amino-3 chloro-4' methyl-2 benzophenone；3-amino-4'-chloro-2-methylbenzophenone；(3-amino-2-methylphenyl)-(4-chlorophenyl)methanone
• CAS: 41652-29-3
• 化学式: C₁₄H₁₂ClNO
• 分子量: 245.708
• InChiKey: BNCJTMZAEBHDBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 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：

  2-methyl-3-amino-4'-chloro-benzophenone 在 硫酸 、 水 、 potassium carbonate 、 copper(II) sulfate 、 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 ethyl 2-[3-(4-chlorobenzoyl)-2-methylphenoxy]acetate
  参考文献：
  名称：

  Astoin; Lepage; Fromantin, European Journal of Medicinal Chemistry, 1980, vol. 15, # 5, p. 457 - 462

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基-3-硝基苯甲酰氯 在 盐酸 、 三氯化铝 、 tin(ll) chloride 作用下， 反应 4.0h， 生成 2-methyl-3-amino-4'-chloro-benzophenone
  参考文献：
  名称：

  Astoin; Lepage; Fromantin, European Journal of Medicinal Chemistry, 1980, vol. 15, # 5, p. 457 - 462

  摘要：

  DOI：

文献信息

• 4-(M-benzoylphenyl)butyric acid derivatives
  申请人：Roussel-UCLAF

  公开号：US03931302A1

  公开（公告）日：1976-01-06

  Novel butyric acid derivatives of the formula ##SPC1## Wherein X, X.sub.1, X.sub.2 and X.sub.3 are individually selected from the group consisting of hydrogen, halogen, lower alkyl of 1 to 5 carbon atoms, lower alkoxy of 1 to 5 carbon atoms, lower alkylthio of 1 to 5 carbon atoms, trifluoromethoxy, trifluoromethylthio, trifluoromethyl, OH and dilower alkylamino of 1 to 5 carbon atoms for each alkyl, R is selected from the group consisting of hydrogen, lower alkyl of 1 to 5 carbon atoms, o-carboxyphenyl, 2,3-dihydroxypropyl and -CH.sub.2 -CH - CH.sub.2 ##EQU1## wherein P and Q are individually lower alkyl of 1 to 5 carbon atoms, Z and X.sub.4 are individually selected from the group consisting of hydrogen and lower alkyl of 1 to 5 carbon atoms and Y is selected from the group consisting of hydrogen and --OH and the dotted line indicates the optional presence of a double bond when Y is hydrogen and when R is hydrogen or o-carboxyphenyl, the salts thereof with a non-toxic pharmaceutically acceptable mineral or organic base, which compounds have anti-inflammatory and analgesic activity and are substantially devoid of ulcerigenic activity and their preparation and novel intermediates formed therein.

  新型丁酸衍生物，其通式如##SPC1##所示，其中X、X₁、X₂和X₃各自独立地选自氢、卤素、含有1至5个碳原子的低级烷基、含有1至5个碳原子的低级烷氧基、含有1至5个碳原子的低级烷基硫基、三氟甲氧基、三氟甲基硫基、三氟甲基、羟基以及每个烷基含有1至5个碳原子的二低级烷基氨基；R选自氢、含有1至5个碳原子的低级烷基、邻羧基苯基、2,3-二羟基丙基以及-CH₂-CH-CH₂##EQU1##其中P和Q各自独立地为含有1至5个碳原子的低级烷基，Z和X₄各自独立地选自氢和含有1至5个碳原子的低级烷基，Y选自氢和--OH，虚线表示当Y为氢且R为氢或邻羧基苯基时可能存在的双键；与无毒的药用可接受的矿物或有机碱形成的盐，这些化合物具有抗炎和镇痛活性，且基本上无致溃疡活性，以及它们的制备方法和在其中形成的新型中间体。
• Butyric acid derivatives for treating pain and inflammation
  申请人：Roussel-UCLAF

  公开号：US03995056A1

  公开（公告）日：1976-11-30

  Novel butyric acid derivatives of the formula ##SPC1## Wherein X, X.sub.1, X.sub.2 and X.sub.3 are individually selected from the group consisting of hydrogen, halogen, lower alkyl of 1 to 5 carbon atoms, lower alkoxy of 1 to 5 carbon atoms, lower alkylthio of 1 to 5 carbon atoms, trifluoromethoxy, trifluoromethylthio, trifluoromethyl, OH and dilower alkylamino of 1 to 5 carbon atoms for each alkyl, R is selected from the group consisting of hydrogen, lower alkyl of 1 to 5 carbon atoms, o-carboxyphenyl, 2,3-dihydroxypropyl and ##EQU1## wherein P and Q are individually lower alkyl of 1 to 5 carbon atoms, Z and X.sub.4 are individually selected from the group consisting of hydrogen and lower alkyl of 1 to 5 carbon atoms and Y is selected from the group consisting of hydrogen and --CH and the dotted line indicates the optional presence of a double bond when Y is hydrogen and when R is hydrogen or o-carboxyphenyl, the salts thereof with a non-toxic pharmaceutically acceptable mineral or orgaic base, which compounds have anti-inflammatory and analgesic activity and are substantially devoid of ulcerigenic activity and their preparation and novel intermediates formed therein.

  化合物的结构式为：##SPC1## 其中X，X.sub.1，X.sub.2和X.sub.3分别从氢，卤素，1至5个碳原子的低级烷基，1至5个碳原子的低级烷氧基，1至5个碳原子的低级烷硫基，三氟甲氧基，三氟甲基硫基，三氟甲基，OH和每个烷基的1至5个碳原子的二级烷胺中选择，而R从氢，1至5个碳原子的低级烷基，o-羧基苯基，2,3-二羟基丙基和##EQU1##中选择，其中P和Q分别是1至5个碳原子的低级烷基，Z和X.sub.4分别从氢和1至5个碳原子的低级烷基中选择，而Y从氢和--CH中选择，虚线表示当Y为氢时，当R为氢或o-羧基苯基时，存在一个可选的双键。这些化合物与无毒的药用矿物质或有机碱的盐具有抗炎和镇痛活性，并且基本上不具有溃疡原性活性，其制备和形成的新中间体。
• ASTOIN J.; LEPAGE F.; FROMANTIN J.-P.; POISSON M., EUR. J. MED. CHEM.-CHIM. THER., 1980, 15, NO 5, 457-462
  作者：ASTOIN J.、 LEPAGE F.、 FROMANTIN J.-P.、 POISSON M.

  DOI：——

  日期：——
• US3931302A
  申请人：——

  公开号：US3931302A

  公开（公告）日：1976-01-06
• US3995056A
  申请人：——

  公开号：US3995056A

  公开（公告）日：1976-11-30