4-chloro-6-(4-fluorophenyl)-2-methylpyrimidine | 178430-13-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-chloro-6-(4-fluorophenyl)-2-methylpyrimidine
• CAS: 178430-13-2
• 化学式: C₁₁H₈ClFN₂
• 分子量: 222.649
• InChiKey: CMHKVLZZLUCNGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  哌啶戊醇 、 4-chloro-6-(4-fluorophenyl)-2-methylpyrimidine 以 环己烷 为溶剂， 生成 4-(4-氟苯基)-2-甲基-6-[5-(1-哌啶基)戊氧基]嘧啶
  参考文献：
  名称：

  PROCESS FOR PRODUCING PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF

  摘要：

  公开号：

  EP1318146B1
• 作为产物：
  描述：

  4-(4-fluorophenyl)-6-hydroxy-2-methylpyrimidine 生成 4-chloro-6-(4-fluorophenyl)-2-methylpyrimidine
  参考文献：
  名称：

  Heterocyclic derivative and medicine

  摘要：

  一种药物组合物，包括以下通式［I］或其盐的化合物。其中R1代表芳基或杂芳基基团。R2代表氢、烷基、烯基、环烷基、环烷基烷基、羟基烷基、卤代烷基、烷氧基、烷硫基、氨基、单烷基氨基、双烷基氨基或苯基。R3和R4独立地代表氢或烷基，或R3和R4与相邻的N原子结合形成5-至7-成员的环氨基团。A代表单键的C2-10烷基。W代表O、S或（CH2）n（其中CH可以被烷基取代；n是1或2的整数）。X、Y和Z可以相同或不同，每个代表CH（可以被烷基取代）或N。然而，不包括X、Y和Z同时代表CH的情况。该发明的化合物具有出色的神经元死亡抑制活性，并可用作治疗脑血管疾病的治疗药物。

  公开号：

  US06191149B1

文献信息

• [EN] PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL<br/>[FR] COMPOSÉ PYRIMIDINE ET SON UTILISATION DANS LA LUTTE ANTIPARASITAIRE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2010134478A1

  公开（公告）日：2010-11-25

  A pyrimidine compound represented by below formula (I) has excellent control activity against pests and is useful as an active ingredient of a pest controlling agent.

  以下公式（I）所代表的嘧啶化合物对害虫具有出色的控制活性，并可用作杀虫剂的活性成分。
• Derivatives of pyrimidine for treating acute cerebrovascular disorders
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：US05945426A1

  公开（公告）日：1999-08-31

  A pharmaceutical composition comprising a compound of the following general formula \x9bI! or its salt. ##STR1## wherein R.sup.1 represents aryl or a heteroaromatic group. R.sup.2 represents hydrogen, alkyl, alkenyl, cycloalkyl, cycloalkylalkyl, hydroxyalkyl, haloalkyl, alkoxy, alkylthio, amino, monoalkylamino, dialkylamino, or phenyl. R.sup.3 and R.sup.4 independently represent hydrogen or alkyl or R.sup.3 and R.sup.4 taken together with the adjacent N atom represent a 5- through 7-membered cyclic amino group. A represents C.sub.2-10 alkylene. W represents O, S, or (CH).sub.n (where CH may be substituted by alkyl; n is an integer of 1 or 2). X, Y, and Z may be the same or different and each represents CH (which may be substituted by alkyl), or N. Provided, however, that the case in which X, Y, and Z concurrently represent CH is excluded. The compound of the invention has excellent neuronal death inhibitory activity and is useful as a therapeutic drug for cerebrovascular diseases.

  一种药物组合物，包含以下通式I所示的化合物或其盐： ##STR1## 其中，R1代表芳基或杂芳香族基团；R2代表氢、烷基、烯基、环烷基、环烷基烷基、羟烷基、卤代烷基、烷氧基、烷硫基、氨基、单烷基氨基、二烷基氨基或苯基；R3和R4独立地代表氢或烷基，或者R3和R4与相邻的N原子一起代表5至7元环状氨基基团；A代表C2-10亚烷基；W代表O、S或(CH)n（其中CH可被烷基取代；n为1或2的整数）；X、Y和Z可以相同或不同，各自代表CH（可被烷基取代）或N。但X、Y和Z同时代表CH的情况除外。本发明的化合物具有优异的神经元死亡抑制活性，可作为治疗脑血管疾病的药物。
• Heterocyclic derivative and medicine
  申请人：Nippon Shinyaku, Co., Ltd.

  公开号：US06191149B1

  公开（公告）日：2001-02-20

  A pharmaceutical composition comprising a compound of the following general formula [I] or its salt. wherein R1 represents aryl or a heteroaromatic group. R2 represents hydrogen, alkyl, alkenyl, cycloalkyl, cycloalkylalkyl, hydroxyalkyl, haloalkyl, alkoxy, alkylthio, amino, monoalkylamino, dialkylamino, or phenyl. R3 and R4 independently represent hydrogen or alkyl or R3 and R4 taken together with the adjacent N atom represent a 5- through 7-membered cyclic amino group. A represents a single bond C2-10 alkylene. W represents O, S, or (CH2)n (where CH may be substituted by alkyl; n is an integer of 1 or 2). X, Y, and Z may be the same or different and each represents CH (which may be substituted by alkyl), or N. Provided, however, that the case in which X, Y, and Z concurrently represent CH is excluded. The compound of the invention has excellent neuronal death inhibitory activity and is useful as a therapeutic drug for cerebrovascular diseases.

  一种药物组合物，包括以下通式［I］或其盐的化合物。其中R1代表芳基或杂芳基基团。R2代表氢、烷基、烯基、环烷基、环烷基烷基、羟基烷基、卤代烷基、烷氧基、烷硫基、氨基、单烷基氨基、双烷基氨基或苯基。R3和R4独立地代表氢或烷基，或R3和R4与相邻的N原子结合形成5-至7-成员的环氨基团。A代表单键的C2-10烷基。W代表O、S或（CH2）n（其中CH可以被烷基取代；n是1或2的整数）。X、Y和Z可以相同或不同，每个代表CH（可以被烷基取代）或N。然而，不包括X、Y和Z同时代表CH的情况。该发明的化合物具有出色的神经元死亡抑制活性，并可用作治疗脑血管疾病的治疗药物。
• PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL
  申请人：Mizuno Hajime

  公开号：US20120041009A1

  公开（公告）日：2012-02-16

  A pyrimidine compound represented by below formula (I) has excellent control activity against pests and is useful as an active ingredient of a pest controlling agent.

  下面公式（I）所表示的嘧啶化合物具有优异的害虫控制活性，并且可用作害虫控制剂的活性成分。
• Process for producing pyrimidine derivative and intermediate thereof
  申请人：Nippon Shinyaku Co., LTD

  公开号：US07091206B2

  公开（公告）日：2006-08-15

  The present invention relates to a method for producing a pyrimidine derivate useful as a neurocyte neurocyte necrosis inhibitor and an intermediate thereof. Disclosed is a method for producing an acid salt of 4-(4-fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy) pyrimidine. The method comprises reacting 4-chloro-6-(4-fluorophenyl)-2-methylpyrimidine with 5-piperidino-1-pentanol, hydrating the thus obtained 4-(4-fluorophenyl)-2-mehtyl-6-(5-piperidinopentylox) pyrimidine and then converting the resultant the hydrate into an acid salt. The hydrate as a describe above; and a method for producing the hydrate is part of this invention. According to the present invention, a highly pure acid salt of 4-(4-fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy) pyrimidine can be readily and efficiently produced without using a column chromatography. Thus, this method is suitable for the production thereof on a industrial scale.

  本发明涉及一种用作神经元坏死抑制剂的嘧啶衍生物及其中间体的制备方法。公开了一种制备4-(4-氟苯基)-2-甲基-6-(5-哌啶基戊氧基)嘧啶酸盐的方法。该方法包括将4-氯-6-(4-氟苯基)-2-甲基嘧啶与5-哌啶基-1-戊醇反应，水化所得的4-(4-氟苯基)-2-甲基-6-(5-哌啶基戊氧基)嘧啶，然后将所得的水合物转化为酸盐。上述水合物及其制备方法是本发明的一部分。根据本发明，可以在不使用柱层析的情况下，轻松高效地制备高纯度的4-(4-氟苯基)-2-甲基-6-(5-哌啶基戊氧基)嘧啶酸盐。因此，该方法适用于工业规模的生产。