3-bromomethyl-2-methoxy-4-methylpyridine | 451458-77-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-bromomethyl-2-methoxy-4-methylpyridine
• 英文别名: 3-(bromomethyl)-2-methoxy-4-methylpyridine
• CAS: 451458-77-8
• 化学式: C₈H₁₀BrNO
• 分子量: 216.077
• InChiKey: CNXHUAVROZGQRC-UHFFFAOYSA-N

物化性质

• 沸点：
  266.5±35.0 °C(Predicted)
• 密度：
  1.417±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromomethyl-2-methoxy-4-methylpyridine 、 氰化钾 以 甲醇 为溶剂， 反应 12.0h， 以90%的产率得到(2-methoxy-4-methylpyridin-3-yl)acetonitrile
  参考文献：
  名称：

  [EN] NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN
  [FR] NOUVEAUX COMPOSES DE PYRIDIN-2-ONE UTILISABLES EN TANT QU'INHIBITEURS DE THROMBINE

  摘要：

  提供了一个式I的化合物，其中虚线、R1、R2、R3a、R3b、A、D、E、G和L的含义如描述中所示，这些化合物可用作竞争性蛋白酶抑制剂，如凝血酶，或者可用作其前药，特别适用于需要抑制凝血酶有益的情况的治疗（例如需要或希望抑制凝血酶的情况，如血栓栓塞等情况，以及需要抗凝治疗的情况）。

  公开号：

  WO2005075424A1
• 作为产物：
  描述：

  2-甲氧基-3,4-二甲基吡啶 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 生成 3-bromomethyl-2-methoxy-4-methylpyridine
  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）。
• Pyridin-2-one compounds useful as inhibitors of thrombin
  申请人：Bayrakdarian Malken

  公开号：US20070161643A1

  公开（公告）日：2007-07-12

  There is provided a compound of formula I wherein the dashed line, R 1 , R 2 , R 3a , R 3b , A, D, E, G and L have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e.g. conditions, such as thrombo-embolisms, where inhibition of thrombin is required or desired, and/or conditions where anticoagulant therapy is indicated).

  提供了一种I式化合物，其中虚线，R1，R2，R3a，R3b，A，D，E，G和L的含义在说明书中给出，这些化合物可用作竞争性蛋白酶抑制剂，例如凝血酶，或可用作其前药，因此特别适用于治疗需要抑制凝血酶的情况（例如需要或期望抑制凝血酶的血栓栓塞等疾病，以及需要抗凝治疗的情况）。
• 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）。
• Design, synthesis, and thrombin-inhibitory activity of pyridin-2-ones as P2/P3 core motifs
  作者：Stephen Hanessian、Daniel Simard、Malken Bayrakdarian、Eric Therrien、Ingemar Nilsson、Ola Fjellström

  DOI：10.1016/j.bmcl.2008.01.122

  日期：2008.3

  Guided by available X-ray crystal structure data on the serine protease thrombin, a series of pyridin-2-one derivatives were designed and synthesized having diverse functionality at the P-1 and P-3 sites. Potent in vitro activity against thrombin, with excellent selectivity over trypsin was found for selected analogues. (C) 2008 Elsevier Ltd. All rights reserved.
• NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN
  申请人：AstraZeneca AB

  公开号：EP1713774A1

  公开（公告）日：2006-10-25