2-苄基-1-甲基-3,6-二氢-2H-吡啶 | 107534-98-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-苄基-1-甲基-3,6-二氢-2H-吡啶
• 英文名称: 2-benzyl-1-methyl-1,2,5,6-tetrahydropyridine
• 英文别名: 2-benzyl-1-methyl-3,6-dihydro-2H-pyridine
• CAS: 107534-98-5
• 化学式: C₁₃H₁₇N
• 分子量: 187.285
• InChiKey: YYEKHPGJGPCRBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-苄基-1-甲基-3,6-二氢-2H-吡啶 在 PPA 作用下， 反应 72.0h， 以74%的产率得到2-methyl-1,2,3,4,5,6-hexahydro-1,5-methano-benzo[c]azocine
  参考文献：
  名称：

  Syntheses of the opioid substructures 1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine and 2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepine

  摘要：

  Concise syntheses of 1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine (12) and 2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepine (18) are described and involve an intramolecular Friedel Crafts alkylation and an intramolecular Heck cyclization as their respective key ring-forming steps. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.12.072
• 作为产物：
  描述：

  2-苄基吡啶 在 sodium tetrahydroborate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 73.5h， 生成 2-苄基-1-甲基-3,6-二氢-2H-吡啶
  参考文献：
  名称：

  Syntheses of the opioid substructures 1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine and 2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepine

  摘要：

  Concise syntheses of 1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine (12) and 2,3,4,5-tetrahydro-1,5-methano-1H-2-benzazepine (18) are described and involve an intramolecular Friedel Crafts alkylation and an intramolecular Heck cyclization as their respective key ring-forming steps. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.12.072

文献信息

• Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses
  申请人：Kimura Tomio

  公开号：US20060128756A1

  公开（公告）日：2006-06-15

  Compounds having activity against production of an inflammatory cytokine of formula (I)′: A′ is pyrrole; R 1′ is phenyl or naphthyl; R 2′ is pyridyl or pyrimidinyl; R 3′ is (IIa)′, (IIb)′ or (IIc)′: m′ is 1; E′ is nitrogen; D′ is >C(R 5′ ), R 5′ is hydrogen, Substituent α′ or Substituent β′; B′ is nitrogen-containing 5-membered heterocyclic; R 4′ is 1 to 3 substituents from Substituent α′, Substituent β′ and Substituent γ′; R 1′ and R 3′ are bonded to two atoms of the pyrrole adjacent to the pyrrole atom bonded to R 2′ ; Substituent α′ is hydroxyl, nitro, cyano, halogen, alkoxy, halogeno alkoxy, alkylthio, halogeno alkylthio or —NR a′ R b′ ; R a′ and R b′ are hydrogen, alkyl, alkenyl, alkynyl, aralkyl or alkylsulfonyl, or R a′ and R b′ with the nitrogen atom form a heterocyclyl; Substituent β′ is alkyl, alkenyl, alkynyl, aralkyl or cycloalkyl; Substituent γ′is oxo, hydroxyimino, alkoxyimino, alkylene, alkylenedioxy, alkylsulfinyl, alkylsulfonyl, aryl, aryloxy, alkylidenyl or aralkylidenyl.

  具有对公式（I）'的炎症细胞因子产生活性的化合物：A'为吡咯；R1'为苯基或萘基；R2'为吡啶基或嘧啶基；R3'为（IIa）'，（IIb）'或（IIc）'；m'为1；E'为氮；D'为>C（R5'），R5'为氢，取代基α'或取代基β'；B'为含氮的5元杂环；R4'为取代基α'，取代基β'和取代基γ'中的1至3个取代基；R1'和R3'与靠近R2'的吡咯原子相连；取代基α'为羟基，硝基，氰基，卤素，烷氧基，卤代烷氧基，烷基硫基，卤代烷基硫基或-NRa'Rb'；Ra'和Rb'为氢，烷基，烯基，炔基，芳基烷基或烷基磺酰基，或Ra'和Rb'与氮原子形成杂环基；取代基β'为烷基，烯基，炔基，芳基烷基或环烷基；取代基γ'为氧代，羟基亚胺基，烷氧基亚胺基，烷基，烷二氧基，烷基亚磺酰基，烷基磺酰基，芳基，芳氧基，烷基亚甲基或芳基亚甲基。