4-(氯甲基)-2-(3-甲氧基苯)-5-甲基-1,3-恶唑 | 755030-85-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(氯甲基)-2-(3-甲氧基苯)-5-甲基-1,3-恶唑
• 英文名称: 4-(chloromethyl)-2-(3-methoxyphenyl)-5-methyloxazole
• 英文别名: 4-(Chloromethyl)-2-(3-methoxyphenyl)-5-methyl-1,3-oxazole
• CAS: 755030-85-4
• 化学式: C₁₂H₁₂ClNO₂
• mdl: MFCD09835601
• 分子量: 237.686
• InChiKey: VWFGBAZRKXYFCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(氯甲基)-2-(3-甲氧基苯)-5-甲基-1,3-恶唑 在 sodium iodide 作用下， 以 四氢呋喃 为溶剂， 生成 5-methyl-2-(3-methoxyphenyl)oxazol-4-ylmethyl iodide
  参考文献：
  名称：

  Process for preparing the enantiomeric forms of cis-configured 1,3-cyclohexanediol derivatives

  摘要：

  描述了一种用于制备手性、非对映体、顺式配置的1,3-二取代环己醇衍生物的过程，其化学式为(I)，其中基团如所定义，通过酶促光学分辨的方法。

  公开号：

  US20040209931A1
• 作为产物：
  描述：

  4-chloromethyl-2-(3-methoxy-phenyl)-5-methyl-oxazole hydrochloride 在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 以92%的产率得到4-(氯甲基)-2-(3-甲氧基苯)-5-甲基-1,3-恶唑
  参考文献：
  名称：

  WO2006/66694

  摘要：

  公开号：

文献信息

• METHOD FOR THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES
  申请人：Salagnad Christophe

  公开号：US20070197614A1

  公开（公告）日：2007-08-23

  The invention relates generally to a process for preparing diarylcycloalkyl derivatives of the formula (I). wherein the respective R-group substituents are defined herein. These compounds of formula (I) are activators for peroxisome proliferator-activated receptors (PPAR activators) which are useful in the therapeutic treatment of a number of diseases and disorders of the central nervous system such as multiple sclerosis, Parkinson's Disease, psychiatric disorders and the like. The present invention is a novel process for preparing PPAR activators of the formula (I) which do not have the disadvantages of the processes known in the prior art. In particular, a process is provided with which the PPAR activators of formula (I) can be prepared in a suitable enantiomeric excess, i.e. high enantioselectivity, without the need for subsequent chiral chromatography.

  本发明涉及一种制备公式（I）的二芳基环烷基衍生物的方法，其中各自的R基取代基如本文所定义。公式（I）化合物是过氧化物酶体增殖物激活受体（PPAR激活剂），在治疗多发性硬化症、帕金森病、精神障碍等中枢神经系统疾病和疾病方面非常有用。本发明提供了一种新的制备公式（I）的PPAR激活剂的方法，该方法不具有先前技术中已知的缺点。特别是，提供了一种方法，可以在不需要后续手性色谱的情况下以适当的对映选择性制备公式（I）的PPAR激活剂，即高对映选择性。
• NOVEL INTERMEDIATE COMPOUNDS USEFUL IN THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES
  申请人：Salagnad Christophe

  公开号：US20080051583A1

  公开（公告）日：2008-02-28

  The invention relates generally to intermediate compounds derived during the process for preparing diarylcycloalkyl derivatives which are activators for peroxisome proliferator-activated receptors (PPAR activators) and are therefore useful in the therapeutic treatment of a number of diseases and disorders of the central nervous system such as multiple sclerosis, Parkinson's Disease, psychiatric disorders and the like. The intermediate compounds of the present invention are defined structurally by the formulae (Ia): and formula (II): wherein the respective substituent groups are defined herein.

  本发明涉及制备二苯基环烷衍生物的过程中产生的中间化合物，该化合物是过氧化物酶体增殖物活化受体（PPAR活化剂），因此在治疗多发性硬化症、帕金森病、精神障碍等中枢神经系统疾病和疾病方面具有用处。本发明的中间化合物在结构上由公式（Ia）和公式（II）定义，其中各取代基在此定义。
• METHOD FOR THE PREPARATION OF OXAZOLES BY CONDENSING AROMATIC ALDEHYDES WITH ALPHA-KETOXIMES TO FORM N-OXIDES AND REACTING SAME WITH ACTIVATIVED ACID DERIVATIVES
  申请人：HOLLA Wolfgang

  公开号：US20080058529A1

  公开（公告）日：2008-03-06

  The present invention is comprised of improved methods in the preparation of oxazoles which results in higher yields with less impurities and contaminants. Oxazoles constitute valuable intermediates in the synthesis of pharmaceutically active substances such as, for example peroxisome proliferator activated receptor (PPAR) agonists which are pharmaceutical actives which can have a positive influence on both lipid and glucose metabolism.

  本发明涉及改进的制备噁唑的方法，其结果是产量更高，杂质和污染物更少。噁唑是合成药物活性物质的有价值的中间体，例如过氧化物酶体增殖物激活受体（PPAR）激动剂，这些药物活性物质可以对脂质和葡萄糖代谢产生积极影响。
• NOVEL INTERMEDIATE COMPOUNDS USEFUL IN THE PREPARATION OF OXAZOLES AND PHARMACEUTICAL ACTIVES FOR THE REGULATION OF LIPID AND GLUCOSE METABOLISM
  申请人：HOLLA Wolfgang

  公开号：US20080114035A1

  公开（公告）日：2008-05-15

  The present invention is directed to compounds of Formula III wherein the R1-R7 groups or substituents are defined herein. The present invention also comprises improved methods in the preparation of oxazoles in which the compounds of Formula III are intermediates and which results in higher yields with less impurities and contaminants. Oxazoles constitute valuable intermediates in the synthesis of pharmaceutically active substances such as, for example peroxisome proliferator activated receptor (PPAR) agonists which are pharmaceutical actives which can have a positive influence on both lipid and glucose metabolism.

  本发明涉及式III的化合物，其中R1-R7基团或取代基如本文所定义。本发明还包括改进的制备噁唑的方法，其中式III的化合物是中间体，并且可以获得更高的收率，同时减少杂质和污染物。噁唑是合成药物活性物质的有价值中间体，例如过氧化物酶体增殖物激活受体（PPAR）激动剂，这是一种药物活性物质，可以对脂质和葡萄糖代谢产生积极影响。
• METHOD FOR THE PRODUCTION OF OXAZOLES BY CONDENSING AROMATIC ALDEHYDES WITH a-KETOXIMES TO N-OXIDES AND THEN REACTING THE SAME WITH ACTIVATED ACID DERIVATIVES
  申请人：HOLLA Wolfgang

  公开号：US20090286988A1

  公开（公告）日：2009-11-19

  The invention is related to a process for preparing compounds of the formula IV by means of conversion of aromatic aldehydes of the formula I using α-ketoximes of the formula II via N-oxides of the formula III to halomethyloxazoles of the formula IV, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , X 1 , X 2 , X 3 , o, n1 and n2 are as defined herein.

  本发明涉及一种制备式IV化合物的方法，该方法通过使用式I的芳香醛，使用式II的α-酮肟经过式III的N-氧化物转化为式IV的卤代甲氧噁唑。其中，R1、R2、R3、R4、R5、R6、R7、R8、X1、X2、X3、o、n1和n2的定义如本文所述。