4-chloro-5-methyl-isoxazol-3-one | 31554-94-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 4-chloro-5-methyl-isoxazol-3-one
• 英文别名: 4-chloro-3-hydroxy-5-methylisoxazole；4-chloro-5-methyl-3-hydroxyisoxazole；4-Chlor-3-hydroxy-5-methylisoxazol；4-Chloro-5-methyl-1,2-oxazol-3(2H)-one；4-chloro-5-methyl-1,2-oxazol-3-one
• CAS: 31554-94-6
• 化学式: C₄H₄ClNO₂
• 分子量: 133.534
• InChiKey: SPNMIOXIRGNFJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-chloro-5-methyl-isoxazol-3-one 生成 5-(Bromomethyl)-4-chloro-1,2-oxazol-3(2H)-one
  参考文献：
  名称：

  TOMITA, KADZUO;MURAKAMI, TADASI;GOTO, KUNIKO

  摘要：

  DOI：

文献信息

• Isoxazolone derivatives, their preparation and their use as plant growth
  申请人：Sankyo Company Limited

  公开号：US04044018A1

  公开（公告）日：1977-08-23

  Isoxazolone derivatives having the formula ##STR1## wherein X is hydrogen atom, a lower alkyl group or a halogen atom; Y is hydrogen atom, a lower alkyl group or phenyl group; and R.sub.1 and R.sub.2 may be the same or different and each represents a lower alkyl group, a cycloalkyl group, an alkeyl group, an alkoxycarbonylalkyl group, a cycloalkyl group, an alkenyl group, an alkynyl group, a lower alkoxy group, a phenyl group which may be substituted with one to three substituents or an aralkyl group which may be substituted with one to three substituents in the aryl moiety. They are useful as plant growth regulators, more specifically herbicides and plant growth retardants, and prepared by reacting the corresponding N-halogenocarbonylisoxazolone with an amine or by reacting the corresponding 3-hydroxyisoxazole with a carbamoyl halide.

  异噁唑酮衍生物具有以下式##STR1##其中X是氢原子、较低的烷基基团或卤原子；Y是氢原子、较低的烷基基团或苯基；R.sub.1和R.sub.2可以相同也可以不同，每个代表较低的烷基基团、环烷基基团、烯基基团、炔基基团、较低的烷氧基团、苯基（可能被一个到三个取代基取代）或芳基基团（可能在芳基部分被一个到三个取代基取代）。它们可用作植物生长调节剂，更具体地说是除草剂和植物生长抑制剂，并通过将相应的N-卤代羰基异噁唑酮与胺反应或将相应的3-羟基异噁唑与羰酰卤反应制备。
• Quinuclidinyloxy-isoxazole compounds and their therapeutic uses
  申请人：Sankyo Company, Limited

  公开号：US05643923A1

  公开（公告）日：1997-07-01

  Compounds of formula (I): ##STR1## wherein R.sup.1 is hydrogen, halogen or alkyl; R.sup.2 is hydrogen, alkyl, optionally substituted phenyl or a heterocycle; or R.sup.1 and R.sup.2 together form a group of formula --CR.sup.4 .dbd.CR.sup.5 --CR.sup.6 .dbd.CR.sup.7 --, where R.sup.4, R.sup.5, R.sup.6 and R.sup.7 are hydrogen, halogen, alkyl group, alkoxy, halomethyl, alkylamino, dialkylamino, hydroxy, nitro, aliphatic carboxylic acylamino or amino; and R.sup.3 is piperidyl, substituted piperidyl or quinuclidinyl. The compounds are useful in the treatment and prophylaxis of cognitive disorders, notably senile dementia, including Alzheimer's disease. Processes for preparing the compounds are also provided.

  公式（I）的化合物：其中R.sup.1是氢，卤素或烷基；R.sup.2是氢，烷基，可选择地取代的苯基或杂环烷基；或者R.sup.1和R.sup.2一起形成一个化合物，其化学式为--CR.sup.4 .dbd.CR.sup.5 --CR.sup.6 .dbd.CR.sup.7 --，其中R.sup.4，R.sup.5，R.sup.6和R.sup.7是氢，卤素，烷基，烷氧基，卤甲基，烷基氨基，二烷基胺基，羟基，硝基，脂肪族羧酰氨基或氨基；而R.sup.3是哌啶基，取代哌啶基或喹啉基。这些化合物在治疗和预防认知障碍方面具有用途，特别是对于老年性痴呆，包括阿尔茨海默病。还提供了制备这些化合物的方法。
• 7.alpha.-Methoxycephalosporin derivatives and their pharmaceutical
  申请人：Sankyo Company Limited

  公开号：US04247548A1

  公开（公告）日：1981-01-27

  7.alpha.-Methoxycephalosporin derivatives of general formula (I): ##STR1## wherein: R.sup.1 represents a hydroxy group; a C.sub.1 -C.sub.4 alkoxy group; a C.sub.2 -C.sub.5 aliphatic acyloxy group; a benzoyloxy group which is unsubstituted or has one or more C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, nitro or halogen substituents; a benzenesulphonyloxy group which is unsubstituted or has one or more C.sub.1 -C.sub.4 alkyl substituents; or a C.sub.1 -C.sub.3 alkanesulphonyloxy group which is unsubstituted or has one or more C.sub.1 -C.sub.3 alkoxy, cyano, nitro, halogen or C.sub.2 -C.sub.4 alkoxycarbonyl substituents; R.sup.2 represents a hydrogen atom, a C.sub.1 -C.sub.4 alkyl group, a halogen atom, a carboxyl group, a C.sub.2 -C.sub.5 alkoxycarbonyl group, a carbamoyl group, an alkylcarbamoyl group in which the alkyl moiety has from 1 to 3 carbon atoms, a di(C.sub.1 -C.sub.3 alkyl)carbamoyl group or a cyano group; R.sup.3 represents a hydrogen atom; an acetoxy group; a carbamoyloxy group; or a tetrazolylthio, thiadiazolylthio or oxadiazolylthio group which is unsubstituted or has one or more C.sub.1 -C.sub.3 alkyl, sulphomethyl or di(C.sub.1 or C.sub.2 alkyl)amino(C.sub.1 -C.sub.3 alkyl) substituents; m is 0 or 1; and n is 0 or 2 exhibit potent antibacterial activity and are thus useful as medicines. The derivatives can be prepared by reacting the corresponding 7.alpha.-methoxycephalosporin derivative having an amino group at the 7.beta.-position with an acid halide corresponding to the substituted acetyl group which it is desired to attach to the amino group at the 7.beta.-position or by reacting Cephamycin C with the same acid halide.

  7.alpha.-甲氧基头孢菌素衍生物的一般式(I)：##STR1## 其中：R.sup.1代表羟基；C.sub.1-C.sub.4烷氧基；C.sub.2-C.sub.5脂肪酰氧基；苯甲酰氧基，未取代或具有一个或多个C.sub.1-C.sub.4烷基，C.sub.1-C.sub.4烷氧基，硝基或卤素取代基；苯磺酰氧基，未取代或具有一个或多个C.sub.1-C.sub.4烷基取代基；或C.sub.1-C.sub.3烷基磺酰氧基，未取代或具有一个或多个C.sub.1-C.sub.3烷氧基，氰基，硝基，卤素或C.sub.2-C.sub.4烷氧羰基取代基；R.sup.2代表氢原子，C.sub.1-C.sub.4烷基，卤素原子，羧基，C.sub.2-C.sub.5烷氧羰基，氨基甲酰基，烷基氨基甲酰基，其中烷基部分具有1至3个碳原子，二(C.sub.1-C.sub.3烷基)氨基甲酰基或氰基；R.sup.3代表氢原子；乙酰氧基；氨基甲酰氧基；或未取代或具有一个或多个C.sub.1-C.sub.3烷基，磺甲基或二(C.sub.1或C.sub.2烷基)氨基(C.sub.1-C.sub.3烷基)取代基的四唑硫基，噻二唑硫基或噁二唑硫基；m为0或1；n为0或2。这些衍生物具有强效的抗菌活性，因此可用作药物。可以通过将在7.beta.-位置具有氨基的相应7.alpha.-甲氧基头孢菌素衍生物与所需附加到7.beta.-位置氨基的取代乙酰基对应的酸卤反应，或通过将头霉素C与相同的酸卤反应来制备这些衍生物。
• YAMADZAKI, JOSIO;MATSUNAGA, XIDEHSUKEH
  作者：YAMADZAKI, JOSIO、MATSUNAGA, XIDEHSUKEH

  DOI：——

  日期：——
• TOMITA, K.;MURAKAMI, T.;TAKAGI, H.;MORISAWA, Y.
  作者：TOMITA, K.、MURAKAMI, T.、TAKAGI, H.、MORISAWA, Y.

  DOI：——

  日期：——