5-Chlor-2-methylchloracetamido-2'-chlorbenzophenon | 63480-61-5

• 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: 5-Chlor-2-methylchloracetamido-2'-chlorbenzophenon
• 英文别名: N-methyl 2'-orthochlorobenzoyl-2,4'-dichloroacetanilide；2-chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methylacetamide
• CAS: 63480-61-5
• 化学式: C₁₆H₁₂Cl₃NO₂
• 分子量: 356.636
• InChiKey: GIFWXHLXCVMKFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-氨基-丁腈 、 5-Chlor-2-methylchloracetamido-2'-chlorbenzophenon 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Cyanoalkylamino-amido benzophenones

  摘要：

  本发明涉及具有明显镇静作用于中枢神经系统的药理学上有价值的新苯酮衍生物，其中一些还具有肌肉松弛和抑制攻击性质。这些新衍生物具有结构式##SPC1##及其加合盐，其中R.sub.1和R.sub.2是从氢，具有1-5个碳原子的烷基，具有2到4个碳原子的烯基，具有2到4个碳原子的炔基或.beta.-溴丙烯基（--CH.sub.2 --CBr = CH.sub.2）中选择的取代基；R.sub.3是--CN；n是选自1和2的整数；m是选自1、2和3的整数，其中环A和环B可以被取代，环A取代物最好是氯或硝基，三氟甲基，甲基，甲氧基或甲硫基，最好在5位，环B最好在2'位取代氯或氟。基团R.sub.1最好表示氢或甲基，乙基或丙炔基，基团R.sub.2最好表示氢或甲基，烯丙基或正丁基。上述结构式所代表的C化合物可以通过将由下式表示的化合物与具有下式Y -- C.sub.m H.sub.2m -- R.sub.3的化合物反应来制备，其中X和Y中的一个表示取代基R.sub.2 -- NH --，另一个表示卤原子，最好是溴或氯原子，以形成上述指定的苯酮衍生物，消除H -- Hal，R.sub.1，R.sub.2，R.sub.3，n和m如上所定义，环A和环B如上所述可能被取代。消除的氢卤酸可通过添加酸结合剂结合，例如，在反应中使用的胺的过量摩尔量，例如三乙胺，二甲苯胺，碳酸钾或碳酸钠。反应在适当的溶剂中进行，最好在升高的温度下进行，通常是所用溶剂的回流温度。

  公开号：

  US03950383A1
• 作为产物：
  描述：

  5-Chlor-2-methylchloracetamido-2'-chlorbenzhydrol 、 三氧化铬 以85%的产率得到
  参考文献：
  名称：

  SUGASAWA T.; ADACHI M.; TOYODA T.; SASAKURA K., J. HETROCYCL. CHEM., 1979, 16, NO 3, 445-448

  摘要：

  DOI：

文献信息

• Thioformamidines, and use as medicaments
  申请人：Pierre Fabre Medicament

  公开号：US05025015A1

  公开（公告）日：1991-06-18

  Formamidine compounds of general formula I ##STR1## in which: R.sub.1 represents H or C.sub.1-4 alkyl, R.sub.2 represents benzoyl, benzyl, or alphahydroxybenzyl, the aromatic ring being optionally substituted by a halogen atom, R.sub.3 and R.sub.4, which are identical or different, represent hydrogen, lower-alkyl, or lower-alkenyl, or form between them with the formamidine function a heterocycle, R.sub.5 represents hydrogen or C.sub.1-4 lower-alkyl or forms with R.sub.4 a double bond (--N.dbd.R.sub.4) in the case of pseudoaromatic heterocycles, n equals 0 or 1, A represents a linear or branched C.sub.1-4 alkylene chain, X represents hydrogen, halogen, C.sub.1-4 lower-alkyl, C.sub.1-4 lower-alkoxy, or nitro, and pharmaceutically-acceptable salts thereof, are disclosed. The compounds and pharmaceutical compositions thereof are used, optionally in combination with other active principles, as drugs for the treatment of gastrointestinal ailments, especially as gastric antisecretory and antiulcer agents.

  一般式I的甲酰胺化合物如下：##STR1## 其中：R.sub.1代表H或C.sub.1-4烷基，R.sub.2代表苯甲酰基、苄基或α-羟基苄基，芳香环可选地被卤素原子取代，R.sub.3和R.sub.4相同或不同，代表氢、低烷基或低烯基，或者与甲酰胺基团形成杂环，R.sub.5代表氢或C.sub.1-4低烷基，或者在伪芳香杂环的情况下与R.sub.4形成双键(--N.dbd.R.sub.4)，n等于0或1，A代表线性或支链C.sub.1-4烷基链，X代表氢、卤素、C.sub.1-4低烷基、C.sub.1-4低烷氧基或硝基，以及其药学上可接受的盐。这些化合物及其制剂可用于治疗胃肠疾病，特别是作为胃抗分泌和抗溃疡剂，可选地与其他活性成分联合使用。
• Thioformamidines, their preparation and use as medicaments
  申请人：Pierre Fabre Medicament

  公开号：US05091415A1

  公开（公告）日：1992-02-25

  Formamidine compounds of general formula I ##STR1## in which: R.sub.1 represents H or C.sub.1-4 alkyl, R.sub.2 represents benzoyl, benzyl, or alpha-hydroxybenzyl, the aromatic ring being optionally substituted by a halogen atom, R.sub.3 and R.sub.4, which are identical or different, represent hydrogen, lower-alkyl, or lower-alkenyl, or form between them with the formamidine function a heterocycle, R.sub.5 represents hydrogen or C.sub.1-4 lower-alkyl or forms with R.sub.4 a double bond (--N.dbd.R.sub.4) in the case of pseudoaromatic heterocycles, n equals 0 or 1, A represents a linear or branched C.sub.1-4 alkylene chain, X represents hydrogen, halogen, C.sub.1-4 lower-alkyl, C.sub.1-4 lower-alkoxy, or nitro, and pharmaceutically-acceptable salts thereof, are disclosed. The compounds and pharmaceutical compositions thereof are used, optionally in combination with other active principles, as drugs for the treatment of gastrointestinal ailments, especially as gastric antisecretory and antiulcer agents.

  一般式为I的甲酰胺化合物##STR1##其中：R.sub.1代表H或C.sub.1-4烷基，R.sub.2代表苯甲酰基，苄基或α-羟基苄基，芳香环可选择性地被卤原子取代，R.sub.3和R.sub.4相同或不同，代表氢，低烷基或低烯基，或在它们之间与甲酰胺功能形成杂环，R.sub.5代表氢或C.sub.1-4低烷基，或在假芳香杂环的情况下与R.sub.4形成双键（--N.dbd.R.sub.4），n等于0或1，A代表线性或支链C.sub.1-4烷基链，X代表氢，卤素，C.sub.1-4低烷基，C.sub.1-4低烷氧基或硝基，以及其药学上可接受的盐。这些化合物及其制剂可选与其他活性成分组合，作为治疗胃肠疾病的药物，特别是作为胃抗分泌和抗溃疡剂。
• PATOISEAU, JEAN-FRANCOIS;AUTIN, JEAN-MARIE;COUSSE, HENRI;SALES, VERONIQUE+
  作者：PATOISEAU, JEAN-FRANCOIS、AUTIN, JEAN-MARIE、COUSSE, HENRI、SALES, VERONIQUE+

  DOI：——

  日期：——
• Cyanoalkylamino-amido benzophenones
  申请人：Cassella Farbwerke Mainkur Akt

  公开号：US03950383A1

  公开（公告）日：1976-04-13

  The present invention relates to pharmacologically valuable new benzophenone derivatives having a pronounced sedative action on the central nervous system and some of which also possess muscle-relaxing and aggression-inhibiting properties. These new derivatives have the structural formula ##SPC1## And their addition salts, in which R.sub.1 and R.sub.2 are substituents selected from the group consisting of hydrogen, alkyl having 1-5 carbon atoms, alkenyl having 2 to 4 carbon atoms, alkinyl having 2 to 4 carbon atoms or .beta.-bromoallyl (--CH.sub.2 --CBr = CH.sub.2) ; R.sub.3 is --CN; n is an integer selected from 1 and 2; and m is an integer selected from 1, 2 and 3, wherein the rings A and B may be substituted, ring A being substituted preferably with a halogen such as chlorine or with nitro, trifluoromethyl, methyl, methoxy or methylmercapto, preferably in the 5 position, and ring B being preferably substituted in the 2' position with chlorine or fluorine. The radical R.sub.1 preferably signify hydrogen or a methyl, ethyl or propargyl group, the radicals for R.sub.2 preferably signify hydrogen or a methyl, allyl or an n-butyl group. C compounds represented by the above structural formula may be produced by reacting a compound represented by the formula ##SPC2## With a compound having the formula Y -- C.sub.m H.sub.2m -- R.sub.3, one of X and Y signifying the substituent R.sub.2 -- NH -- and the other signifying a halogen atom, preferably a bromine or chlorine atom, so as to form the above specified benzophenone derivative with the elimination of H -- Hal, R.sub.1, R.sub.2, R.sub.3, n and m being as defined above, and the rings A and B being optionally substituted as discussed above. The hydrogen halide which is eliminated is advantageously bound by the addition of an acid-binding agent, as for example, a molar excess of the amine used in the reaction or, for example, triethylamine, dimethylaniline, potassium or sodium carbonate or sodium bicarbonate. The reaction is carried out in a suitable solvent, preferably at an elevated temperature, typically the reflux temperature of the solvent used.

  本发明涉及具有明显镇静作用于中枢神经系统的药理学上有价值的新苯酮衍生物，其中一些还具有肌肉松弛和抑制攻击性质。这些新衍生物具有结构式##SPC1##及其加合盐，其中R.sub.1和R.sub.2是从氢，具有1-5个碳原子的烷基，具有2到4个碳原子的烯基，具有2到4个碳原子的炔基或.beta.-溴丙烯基（--CH.sub.2 --CBr = CH.sub.2）中选择的取代基；R.sub.3是--CN；n是选自1和2的整数；m是选自1、2和3的整数，其中环A和环B可以被取代，环A取代物最好是氯或硝基，三氟甲基，甲基，甲氧基或甲硫基，最好在5位，环B最好在2'位取代氯或氟。基团R.sub.1最好表示氢或甲基，乙基或丙炔基，基团R.sub.2最好表示氢或甲基，烯丙基或正丁基。上述结构式所代表的C化合物可以通过将由下式表示的化合物与具有下式Y -- C.sub.m H.sub.2m -- R.sub.3的化合物反应来制备，其中X和Y中的一个表示取代基R.sub.2 -- NH --，另一个表示卤原子，最好是溴或氯原子，以形成上述指定的苯酮衍生物，消除H -- Hal，R.sub.1，R.sub.2，R.sub.3，n和m如上所定义，环A和环B如上所述可能被取代。消除的氢卤酸可通过添加酸结合剂结合，例如，在反应中使用的胺的过量摩尔量，例如三乙胺，二甲苯胺，碳酸钾或碳酸钠。反应在适当的溶剂中进行，最好在升高的温度下进行，通常是所用溶剂的回流温度。
• SUGASAWA T.; ADACHI M.; TOYODA T.; SASAKURA K., J. HETROCYCL. CHEM., 1979, 16, NO 3, 445-448
  作者：SUGASAWA T.、 ADACHI M.、 TOYODA T.、 SASAKURA K.

  DOI：——

  日期：——