4-(bromomethyl)-5-chloro-1,3-dimethyl-1H-pyrazole | 451459-30-6

• 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-(bromomethyl)-5-chloro-1,3-dimethyl-1H-pyrazole
• 英文别名: 4-bromomethyl-5-chloro-1,3-dimethylpyrazole；4-(bromomethyl)-5-chloro-1,3-dimethylpyrazole
• CAS: 451459-30-6
• 化学式: C₆H₈BrClN₂
• 分子量: 223.5
• InChiKey: SDEPCUIHLNVDKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-(bromomethyl)-5-chloro-1,3-dimethyl-1H-pyrazole 、 4,6-dimethylpyridine-2-carboxyaldehyde oxime 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 2.5h， 生成 4,6-dimethyl-2-pyridinecarboxyaldehyde O-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]oxime
  参考文献：
  名称：

  EP1362850

  摘要：

  公开号：
• 作为产物：
  描述：

  (5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methanol 在 四溴化碳 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 4-(bromomethyl)-5-chloro-1,3-dimethyl-1H-pyrazole
  参考文献：
  名称：

  EP1362850

  摘要：

  公开号：

文献信息

• Oxime ether compound and agricultural or horticultural bactericide
  申请人：——

  公开号：US20040116480A1

  公开（公告）日：2004-06-17

  An oxime ether compound represented by the formula [I] or a salt thereof which have excellent bactericidal activity and are useful as an agricultural or horticultural fungicide. [I] (In the formula, R 1 represents halogeno, hydroxy, C 1-6 alkyl, C 1-6 haloalkyl, C 1-6 alkoxy, C 1-6 alkyl substituted by C 1-6 alkoxy, cyano, nitro, C 2-6 alkenyl, C 2-6 haloalkenyl, C 2-6 alkynyl, amino, mono(C 1-6 alkyl)amino, di(C 1-6 alkyl)amino, C 3-6 cycloalkyl, carboxyl, C 1-6 alkoxycarbonyl, etc.; R 2 represents hydrogen, C 1-6 alkyl, C 3-6 cycloalkyl, C 1-6 haloalkyl, etc.; R 3 and R 4 each represents hydrogen or C 1-6 alkyl; k is an integer of 1 to 4; and A represents the heterocyclic group shown in the description.) 1

  一种由式[I]表示的肟醚化合物或其盐，具有优异的杀菌活性，并可用作农业或园艺杀菌剂。[I]（在该式中，R1代表卤素，羟基，C1-6烷基，C1-6卤代烷基，C1-6烷氧基，C1-6烷基被C1-6烷氧基取代，氰基，硝基，C2-6烯基，C2-6卤代烯基，C2-6炔基，氨基，单（C1-6烷基）氨基，二（C1-6烷基）氨基，C3-6环烷基，羧基，C1-6烷氧羰基等；R2代表氢，C1-6烷基，C3-6环烷基，C1-6卤代烷基等；R3和R4各代表氢或C1-6烷基；k为1至4的整数；A代表说明中所示的杂环基）。
• PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS
  申请人：Université Laval

  公开号：US20150225423A1

  公开（公告）日：2015-08-13

  The present invention features compounds having the Formula (Ia) and (Ib) (e.g., a compound of any of Formulas ((Ia-2)-(Ia-21)), including other tautomers, stereoisomers, E/Z stereoisomers, prodrugs, pharmaceutically acceptable salts, and compositions thereof. The invention also features methods for treating or preventing pain (e.g., neuropathic pain), inflammation, or epilepsy in a patient by administering an effective amount of a compound of Formula (Ia) or (Ib). The invention also features a method for treating or preventing pain (e.g., neuropathic pain), inflammation, or epilepsy in a patient that includes administering to a patient in need thereof an effective amount of a compound of Formula (IIa) or (IIb) (e.g., a compound of any of Formulas ((IIa-2)-(IIa-6)). The compounds described herein (e.g., a compound of Formulas (Ia), (Ib), (IIa), or (IIb)) can also be used as anticonvulsants.

  本发明涉及具有式(Ia)和(Ib)的化合物(例如，任何公式((Ia-2)-(Ia-21))的化合物，包括其他互变异构体、立体异构体、E/Z立体异构体、前药、药学上可接受的盐及其组合物。本发明还涉及通过给患者施用式(Ia)或(Ib)的化合物的有效量来治疗或预防疼痛(例如，神经痛)、炎症或癫痫的方法。本发明还涉及一种治疗或预防疼痛(例如，神经痛)、炎症或癫痫的方法，包括向需要的患者施用式(IIa)或(IIb)的化合物的有效量(例如，任何公式((IIa-2)-(IIa-6))的化合物)。本文所描述的化合物(例如，公式(Ia)、(Ib)、(IIa)或(IIb)的化合物)也可用作抗惊厥剂。
• Pyrimidines as novel therapeutic agents
  申请人：Attardo Giorgio

  公开号：US09040538B2

  公开（公告）日：2015-05-26

  The present invention features compounds having the Formula (Ia) and (Ib) (e.g., a compound of any of Formulas ((Ia-2)-(Ia-21)), including other tautomers, stereoisomers, E/Z stereoisomers, prodrugs, pharmaceutically acceptable salts, and compositions thereof. The invention also features methods for treating or preventing pain (e.g., neuropathic pain), inflammation, or epilepsy in a patient by administering an effective amount of a compound of Formula (Ia) or (Ib). The invention also features a method for treating or preventing pain (e.g., neuropathic pain), inflammation, or epilepsy in a patient that includes administering to a patient in need thereof an effective amount of a compound of Formula (IIa) or (IIb) (e.g., a compound of any of Formulas ((IIa-2)-(IIa-6)). The compounds described herein (e.g., a compound of Formulas (Ia), (Ib), (IIa), or (IIb)) can also be used as anticonvulsants.

  本发明涉及具有公式(Ia)和(Ib)的化合物（例如，任何公式((Ia-2)-(Ia-21))的化合物，包括其他互变异构体、立体异构体、E/Z立体异构体、前药、药学上可接受的盐和组合物）。本发明还涉及通过给予公式(Ia)或(Ib)的化合物的有效量来治疗或预防患者的疼痛（例如，神经痛）、炎症或癫痫的方法。本发明还涉及一种治疗或预防患者的疼痛（例如，神经痛）、炎症或癫痫的方法，包括向需要的患者给予公式(IIa)或(IIb)的化合物的有效量（例如，任何公式((IIa-2)-(IIa-6))的化合物）。本文描述的化合物（例如，公式(Ia)、(Ib)、(IIa)或(IIb)的化合物）也可用作抗癫痫药。
• OXIME ETHER COMPOUND AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1362850A1

  公开（公告）日：2003-11-19

  An oxime ether compound represented by the formula [I] or a salt thereof which have excellent bactericidal activity and are useful as an agricultural or horticultural fungicide. [I] (In the formula, R1 represents halogeno, hydroxy, C1-6 alkyl, C1-6 haloalkyl, C1-6 alkoxy, C1-6 alkyl substituted by C1-6 alkoxy, cyano, nitro, C2-6 alkenyl, C2-6 haloalkenyl, C2-6 alkynyl, amino, mono(C1-6 alkyl)amino, di(C1-6 alkyl)amino, C3-6 cycloalkyl, carboxyl, C1-6 alkoxycarbonyl, etc.; R2 represents hydrogen, C1-6 alkyl, C3-6 cycloalkyl, C1-6 haloalkyl, etc.; R3 and R4 each represents hydrogen or C1-6 alkyl; k is an integer of 1 to 4; and A represents the heterocyclic group shown in the description.)

  一种由式[I]代表的肟醚化合物或其盐，具有优异的杀菌活性，可用作农业或园艺杀菌剂。[I]（式中，R1 代表卤素、羟基、C1-6 烷基、C1-6 卤代烷基、C1-6 烷氧基、被 C1-6 烷氧基取代的 C1-6 烷基、氰基、硝基、C2-6 烯基、C2-6 卤代烯基、C2-6 炔基、氨基、单(C1-6 烷基)氨基、二(C1-6 烷基)氨基、C3-6 环烷基、羧基、C1-6 烷氧基羰基等。R2 代表氢、C1-6 烷基、C3-6 环烷基、C1-6 卤代烷基等；R3 和 R4 各自代表氢或 C1-6 烷基；k 为 1 至 4 的整数；A 代表说明中所示的杂环基团）。
• NOVEL PYRROLOPYRIDINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND USE THEREOF
  申请人：ST Pharm Co., Ltd.

  公开号：EP3604303A1

  公开（公告）日：2020-02-05

  The present invention relates to a novel pyrrolopyridine compound represented by Chemical Formula I, a racemate or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof; and to a method for preparing the same. A compound represented by Chemical Formula I shows high selectivity and antiviral activity against human immunodeficiency virus (HIV), with low toxicity; therefore, it is useful as a therapeutic agent for viral infection, in particular, HIV infection.

  本发明涉及一种由化学式 I 代表的新型吡咯并吡啶化合物、其外消旋物或立体异构体或其药学上可接受的盐；以及制备该化合物的方法。化学式 I 所代表的化合物对人类免疫缺陷病毒（HIV）具有高选择性和抗病毒活性，且毒性低；因此，它可用作病毒感染，特别是 HIV 感染的治疗剂。