找化学品上960化工网!
960化工网

4-甲氧基-2,3,5-三甲基吡啶氮氧化物 | 86604-80-0

4-甲氧基-2,3,5-三甲基吡啶氮氧化物
N-Oxide-2,3,5-trimethyl-4-methoxypyridine
86604-80-0
C9H13NO2
167.205022573471
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-甲氧基-2,3,5-三甲基吡啶氮氧化物结构式
10702237
名称和标识符
MDL MFCD02093099
InChIKey JOXZAMWCPXYFKC-UHFFFAOYSA-N
Inchi 1S/C9H13NO2/c1-6-5-10(11)8(3)7(2)9(6)12-4/h5H,1-4H3
SMILES [O-][N+]1C(C)=C(C)C(OC)=C(C)C=1
别名信息
- 中文别名 -
  • 埃索美拉唑杂质22
  • 4-甲氧基-2,3,5-三甲基吡啶-n-氧化物
  • 4-甲氧基-2,3,5-三甲基吡啶氮氧化物
  • 4-甲氧基-2,3,5-三甲基吡啶 N-氧化物
- 英文别名 -
  • Pyridine, 4-methoxy-2,3,5-trimethyl-, 1-oxide
  • 4-methoxy-2,3,5-trimethyl-1-oxidopyridin-1-ium
  • 4-Methoxy-2,3,5-trimethylpyridine N-oxide
  • 2,3,5-trimethyl-4-methoxypyridine-N-oxide
  • 4-methoxy-2,3,5-trimethylpyridine 1-oxide
  • 4-METHOXY-2,3,5-TRIMETHYLPYRIDINE-N-OXIDE
  • 2,3,5-Trimethyl-4-methoxypyridine N-oxide
  • 4-Methoxy-2,3,5-trimethylpyridine 1-oxide
物化性质
实验特性
LogP 2.04890
PSA 34.69000
熔点 35 ºC
溶解度 略溶 (14 g/L) (25 ºC),
密度 1.04±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 167.09500
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 1
同位素质量 167.094628657g/mol
重原子数量 12
复杂度 152
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1
拓扑分子极性表面积 34.7Ų
合成路线

合成路线:2 步

反应条件:
参考文献:
Synthesis of 4-methoxy-2,3,5-trimethylpyridine: a specific building block for compounds with gastric acid-inhibiting activity
Mittelbach, Martin; et al, Acta Chemica Scandinavica, 1988, 42(8), 524-9

合成路线:1 步

反应条件:
参考文献:
Diversified synthesis of novel quinoline and dibenzothiazepine derivatives using known active intermediates
Sharada, L. N.; et al, Asian Journal of Chemistry, 2013, 25(14), 7959-7966

合成路线:1 步

反应条件:
参考文献:
Simple, convergent synthesis of the piperazine-linked pyridine derivatives: Microwave, sonication and conventional methods
Sharada, L. N.; et al, Journal of Pharmacy Research (Gurgaon, 2013, 7(1), 107-112

合成路线:1 步

反应条件:
参考文献:
Synthesis of 4-methoxy-2,3,5-trimethylpyridine: a specific building block for compounds with gastric acid-inhibiting activity
Mittelbach, Martin; et al, Acta Chemica Scandinavica, 1988, 42(8), 524-9

合成路线:3 步

反应条件:
参考文献:
Synthesis of 4-methoxy-2,3,5-trimethylpyridine: a specific building block for compounds with gastric acid-inhibiting activity
Mittelbach, Martin; et al, Acta Chemica Scandinavica, 1988, 42(8), 524-9

合成路线:2 步

反应条件:
参考文献:
Simple, convergent synthesis of the piperazine-linked pyridine derivatives: Microwave, sonication and conventional methods
Sharada, L. N.; et al, Journal of Pharmacy Research (Gurgaon, 2013, 7(1), 107-112

合成路线:2 步

反应条件:
参考文献:
Image-Guided Development of Heterocyclic Sulfoxides as Ligands for Tau Neurofibrillary Tangles: From First-in-Man to Second-Generation Ligands
Rafique, Waqas; et al, ACS Omega, 2018, 3(7), 7567-7579

合成路线:1 步

反应条件:
参考文献:
A new method for the synthesis of 4-methoxyl-2,3,5-trimethylpyridine
Liu, Tian-Chun; et al, Youji Huaxue, 2002, 22(2), 135-137

合成路线:6 步

反应条件:
参考文献:
Synthesis of 4-methoxy-2,3,5-trimethylpyridine: a specific building block for compounds with gastric acid-inhibiting activity
Mittelbach, Martin; et al, Acta Chemica Scandinavica, 1988, 42(8), 524-9

合成路线:2 步

反应条件:
参考文献:
Diversified synthesis of novel quinoline and dibenzothiazepine derivatives using known active intermediates
Sharada, L. N.; et al, Asian Journal of Chemistry, 2013, 25(14), 7959-7966

合成路线:3 步

反应条件:
参考文献:
Integrating hydrogen production with anodic selective oxidation of sulfides over a CoFe layered double hydroxide electrode
Ma, Lina; et al, Chemical Science, 2021, 12(3), 938-945

合成路线:1 步

反应条件:
参考文献:
Synthesis of 2-chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride
Dai, Guiyuan; et al, Zhongguo Yiyao Gongye Zazhi, 2004, 35(5), 261-262

合成路线:1 步

反应条件:
参考文献:
Improvement on the synthesis of 2-chloromethyl-4-methoxy-3,5-dimethylpyridine
Ma, Nan; et al, Hecheng Huaxue, 2007, 15(3), 385-387

合成路线:1 步

反应条件:
参考文献:
Synthesis of 4-methoxy-2,3,5-trimethylpyridine: a specific building block for compounds with gastric acid-inhibiting activity
Mittelbach, Martin; et al, Acta Chemica Scandinavica, 1988, 42(8), 524-9

合成路线:1 步

参考文献:
Integrating hydrogen production with anodic selective oxidation of sulfides over a CoFe layered double hydroxide electrode
Ma, Lina; et al, Chemical Science, 2021, 12(3), 938-945

合成路线:1 步

参考文献:
Product class 1: pyridines
Spitzner, D., Science of Synthesis, 2005, 15, 11-284

合成路线:4 步

反应条件:
参考文献:
Synthesis of 4-methoxy-2,3,5-trimethylpyridine: a specific building block for compounds with gastric acid-inhibiting activity
Mittelbach, Martin; et al, Acta Chemica Scandinavica, 1988, 42(8), 524-9

合成路线:5 步

反应条件:
参考文献:
Synthesis of 4-methoxy-2,3,5-trimethylpyridine: a specific building block for compounds with gastric acid-inhibiting activity
Mittelbach, Martin; et al, Acta Chemica Scandinavica, 1988, 42(8), 524-9

合成路线:1 步

反应条件:
参考文献:
Image-Guided Development of Heterocyclic Sulfoxides as Ligands for Tau Neurofibrillary Tangles: From First-in-Man to Second-Generation Ligands
Rafique, Waqas; et al, ACS Omega, 2018, 3(7), 7567-7579

合成路线:2 步

反应条件:
参考文献:
Integrating hydrogen production with anodic selective oxidation of sulfides over a CoFe layered double hydroxide electrode
Ma, Lina; et al, Chemical Science, 2021, 12(3), 938-945

合成路线:1 步

反应条件:
参考文献:
Thiophene as a Structure Element in Pharmacologically Active Compounds
Rovenszky, Franz, 1985, , ,
专业数据库参考
PubChemId 10702237
960化工网为您提供4-甲氧基-2,3,5-三甲基吡啶氮氧化物专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:86604-80-0,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:86604-80-0
平台客服 平台客服

平台在线客服