4-Methyl-3-pyridinecarboxylic Acid Benzyl Ester | 164464-66-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Methyl-3-pyridinecarboxylic Acid Benzyl Ester
• 英文别名: Benzyl 4-methylnicotinate；benzyl 4-methylpyridine-3-carboxylate
• CAS: 164464-66-8
• 化学式: C₁₄H₁₃NO₂
• 分子量: 227.263
• InChiKey: PJSYWRWXWPEOEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  溴甲苯 在 三乙胺 作用下， 以 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-Methyl-3-pyridinecarboxylic Acid Benzyl Ester
  参考文献：
  名称：

  Antiviral thiazoles

  摘要：

  式（I）的化合物是活性抗病毒化合物，在治疗哺乳动物的病毒感染中非常有用。该发明的化合物可通过将适当的2-硫代噻唑衍生物与适当的Het-(CH.sub.2).sub.n-卤化物反应而轻松制备。

  公开号：

  US05789408A1

文献信息

• Carboxamide derivatives and use thereof
  申请人：Purdue Pharma L.P.

  公开号：US10005768B2

  公开（公告）日：2018-06-26

  The present disclosure provides substituted pyridyl-, pyrimidinyl-, pyrazinyl-, pyridazinyl-, and triazinyl-based carboxamides of Formula I-A: and the pharmaceutically acceptable salts and solvates thereof, wherein Z, HET, R10, and E are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I-A to treat a disorder responsive to the blockade of sodium channels. Compounds of the present disclosure are especially useful for treating pain.

  本公开提供了式 I-A 的取代吡啶基、嘧啶基、吡嗪基、哒嗪基和三嗪基羧酰胺： 及其药学上可接受的盐和溶液，其中 Z、HET、R10 和 E 的定义如说明书所述。本公开还涉及使用式 I-A 的化合物治疗对钠离子通道阻断有反应的疾病。本公开的化合物尤其适用于治疗疼痛。
• Isoxazoline-substituted benzamide compound and pesticide
  申请人：NISSAN CHEMICAL CORPORATION

  公开号：US10874645B2

  公开（公告）日：2020-12-29

  A substituted alkenylbenzene compound of formula (4): wherein X1 is selected from the group consisting of a halogen atom, —SF5, C1-C6haloalkyl, hydroxy C1-C6haloalkyl, C1-C6alkoxy C1-C6haloalkyl, C3-C8halocycloalkyl, C1-C6haloalkoxy, C1-C3haloalkoxy C1-C3haloalkoxy, C1-C6haloalkylthio, C1-C6haloalkylsulfinyl and C1-C6haloalkylsulfonyl; X3 is selected from the group consisting of a hydrogen atom, halogen atom, cyano, nitro, C1-C6alkyl, C1-C6haloalkyl, C1-C6alkoxy and C1-C6alkylthio; X4 is selected from the group consisting of a hydrogen atom, halogen atom, cyano, C1-C4alkyl, C1-C4alkoxy and C1-C4haloalkoxy; R3 is —C(R3a)(R3b)R3c, where R3a and R3b independently of each other are a halogen atom, or R3a and R3b together form 3- to 6-membered ring together with the carbon atom bonding them by forming a C2-C5haloalkylene chain, and R3c is selected from the group consisting of a hydrogen atom, halogen atom, C1-C5alkyl, C1-C5haloalkyl, C1-C4haloalkoxy and C1-C4haloalkylthio, with a proviso that in case where X1 is a fluorine atom, chlorine atom or trifluoromethyl, and both X2 and X3 are a hydrogen atom, in case where both X1 and X2 are fluorine atom and X3 is a hydrogen atom, and in case where both X1 and X2 are trifluoromethyl and X3 is a hydrogen atom, R3c is a hydrogen atom, chlorine atom, bromine atom, iodine atom, C1-C5alkyl, C1-C5haloalkyl, C1-C4haloalkoxy or C1-C4haloalkylthio.

  式 (4) 的取代烯基苯化合物： 其中 X1 选自由卤素原子、-SF5、C1-C6 卤代烷基、C1-C6 卤代烷基羟基、C1-C6 卤代烷氧基、C1-C6 卤代烷基、C3-C8 卤代烷基、C1-C6 卤代烷氧基、C1-C3 卤代烷氧基、C1-C6 卤代烷基硫基、C1-C6 卤代烷基亚磺酰基和 C1-C6 卤代烷基磺酰基组成的组；X3 选自由氢原子、卤素原子、氰基、硝基、C1-C6-烷基、C1-C6-卤代烷基、C1-C6-烷氧基和 C1-C6 烷硫基组成的组；X4 选自由氢原子、卤素原子、氰基、C1-C4-烷基、C1-C4-烷氧基和 C1-C4 卤代烷氧基组成的组；R3 是-C(R3a)(R3b)R3c，其中 R3a 和 R3b 各自是卤素原子，或 R3a 和 R3b 通过形成 C2-C5 卤代亚烷基链与连接它们的碳原子一起形成 3 至 6 元环，R3c 选自氢原子、卤素原子、C1-C5 烷基、C1-C5 卤代烷基、C1-C4 卤代烷氧基和 C1-C4 卤代烷硫基组成的组、但条件是，如果 X1 是氟原子、氯原子或三氟甲基，而 X2 和 X3 都是氢原子，如果 X1 和 X2 都是氟原子，而 X3 是氢原子、在 X1 和 X2 均为三氟甲基且 X3 为氢原子的情况下，R3c 为氢原子、氯原子、溴原子、碘原子、C1-C5 烷基、C1-C5 卤代烷基、C1-C4 卤代烷氧基或 C1-C4 卤代烷硫基。
• 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：Agro-Kanesho Co., Ltd.

  公开号：EP2871180B1

  公开（公告）日：2018-03-21
• ANTIVIRAL THIAZOLES
  申请人：PFIZER INC.

  公开号：EP0714393A1

  公开（公告）日：1996-06-05
• THIAZOLES AS ANTIVIRAL
  申请人：PFIZER INC.

  公开号：EP0714393B1

  公开（公告）日：1998-09-23