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2,4-二甲基咪唑 | 930-62-1

2,4-二甲基咪唑
2,4-Dimethylimidazole
930-62-1
C5H8N2
96.1304206848145
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2,4-二甲基咪唑结构式
70259
2,4-二甲基咪唑价格
名称和标识符
MDL MFCD00022365
InChIKey LLPKQRMDOFYSGZ-UHFFFAOYSA-N
Inchi 1S/C5H8N2/c1-4-3-6-5(2)7-4/h3H,1-2H3,(H,6,7)
SMILES N1=C(C)NC(C)=C1
BRN 1639
别名信息
- 中文别名 -
  • 2,4-二甲基咪唑
  • 2,4-二甲基-1H-咪唑
  • 2,4-二甲基咪唑 ,AR
  • 二甲基咪唑
- 英文别名 -
  • 2,4-Dimethylimidazole
  • 1H-Imidazole,2,4-dimethyl
  • 2,4-dimethyl
  • 2,4-Dimethyl-1(3)H-imidazol
  • 2,4-dimethyl-1(3)H-imidazole
  • 2,4-dimethyl-1H-imidazole
  • 2,4-Dimethylimidazol
  • 2,4-dimethyl-imidazole
  • 2,5-Dimethyl-1H-imidazole
  • 2-methyl-4-methylimidazole
  • 1H-Imidazole,2,4-dimethyl- (9CI)
  • Imidazole, 2,4(or 2,5)-dimethyl- (6CI,7CI)
  • Imidazole,2,4-dimethyl- (8CI)
  • 2,5-Dimethylimidazole
  • NSC 13192
  • 1H-Imidazole, 2,4-dimethyl- (9CI)
  • 2,5-Dimethyl-1H-imidazole (ACI)
  • Imidazole, 2,4(or 2,5)-dimethyl- (6CI, 7CI)
  • Imidazole, 2,4-dimethyl- (8CI)
  • 2,4-Dimethyl-1H-imidazole
  • 2-Methyl-4-methylimidazole
  • W-100258
  • AKOS015905574
  • CS-W013729
  • DTXSID40239236
  • NSC13192
  • FT-0610177
  • MFCD00022365
  • EINECS 213-221-4
  • 1H-Imidazole,4-dimethyl-
  • EN300-25771
  • 2,4-dimethyl imidazole
  • NSC-13192
  • Imidazole,4-dimethyl-
  • AC-907/25014081
  • 1H-Imidazole, 2,4-dimethyl-
  • AKOS000121130
  • 930-62-1
  • PS-9343
  • 2,4 dimethyl imidazole
  • 2,5-dimethyl imidazole
  • NS00020241
  • A844433
  • Z217301646
  • Imidazole, 2,4-dimethyl-
  • InChI=1/C5H8N2/c1-4-3-6-5(2)7-4/h3H,1-2H3,(H,6,7
  • T0MIX7SJ2E
  • UNII-T0MIX7SJ2E
  • AM20120338
  • 2,5-dimethyl-1H-imidazole
  • 2,4-Dimethyl-1H-imidazole #
  • 2,5-dimethylimidazole
  • 2,4-dimethyl-3H-imidazole
物化性质
实验特性
LogP 1.02650
PSA 28.68000
折射率 1.5000 (estimate)
水溶性 Soluble in water.
沸点 266 ºC (733 mmHg)
熔点 85-87 ºC
闪点 266°C/733mm
颜色与性状 白色结晶
溶解性 未确定
酸度系数(pKa) 8.36(at 25℃)
密度 0.9678 (rough estimate)
计算特性
精确分子量 96.06870
氢键供体数量 1
氢键受体数量 1
可旋转化学键数量 0
同位素质量 96.069
重原子数量 7
复杂度 63.1
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) 0.9
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 28.7A^2
国际标准相关数据
EINECS 213-221-4
海关数据
海关编码 2933290090
海关数据

中国海关编码:

2933290090

概述:

2933290090. 其他结构含非稠合咪唑环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Reductions by metal alkoxyaluminum hydrides. Part II. Carboxylic acids and derivatives, nitrogen compounds, and sulfur compounds
Malek, Jaroslav, Organic Reactions (Hoboken, 1988, 36,

合成路线:1 步

反应条件:
参考文献:
Chemoselective and living/controlled polymerization of polar divinyl monomers by N-heterocyclic olefin based classical and frustrated Lewis pairs
Zhao, Wuchao; Wang, Qianyi; He, Jianghua; Zhang, Yuetao, Polymer Chemistry, 2019, 10(31), 4328-4335

合成路线:1 步

反应条件:
参考文献:
A new synthesis of imidazoles
Casey, Michael; Moody, Christopher J.; Rees, Charles W., Journal of the Chemical Society, 1982, (13), 714-15

合成路线:1 步

参考文献:
Preparation of 4-methylimidazoles from methylglyoxal, aldehydes, and ammonia
, Japan, , ,

合成路线:1 步

反应条件:
参考文献:
Catalytic synthesis of C-alkylimidazoles in the presence of platinum/alumina catalysts
Gitis, K. M.; Neumoeva, G. E.; Raevskaya, N. I.; Arutyunyants, G. A.; Isagulyants, G. V., Izvestiya Akademi Nauk, 1992, (4), 932-40

合成路线:1 步

参考文献:
Product class 3: imidazoles
Grimmett, M. R., Science of Synthesis, 2002, 12, 325-528

合成路线:1 步

反应条件:
参考文献:
Reactions of halomethanes in the vapor phase. Part 5. The reactions of imidazolines, anils, and 1-methylimidazole with chloroform at 550°C, and a comparison with their liquid-phase reactions with trichloroacetate ion or hexachloroacetone and base
Busby, Reginald E.; Khan, Mohammad A.; Khan, Mohammad R.; Parrick, John; Shaw, C. J. Granville, Journal of the Chemical Society, 1980, (7), 1431-5

合成路线:1 步

参考文献:
New process for synthesis of imidazole derivatives
Eloy, F.; Deryckere, A.; Maffrand, J. P., European Journal of Medicinal Chemistry, 1974, 9(6), 602-6

合成路线:1 步

参考文献:
Synthesis of imidazoles from alkenes
Casey, Michael; Moody, Christopher J.; Rees, Charles W., Journal of the Chemical Society, 1984, (8), 1933-41

合成路线:1 步

反应条件:
参考文献:
Preparation method of neutron shielding material based on metal boron-imidazole framework
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Synthesis of some alkyl- and arylimidazoles
Watanabe, T.; Nishiyama, J.; Hirate, R.; Uehara, K.; Inoue, M.; et al, Journal of Heterocyclic Chemistry, 1983, 20(5), 1277-81

合成路线:1 步

参考文献:
4-Methylimidazoles
, European Patent Organization, , ,

合成路线:1 步

参考文献:
Imidazoles by reaction of acetalated α-dicarbonyl compounds with ammonia and/or ammonium salts and aldehydes
, Federal Republic of Germany, , ,

合成路线:1 步

参考文献:
Reaction of nitrosonium fluoborate with olefins in nitrile media. Two-step synthesis of imidazoles from olefins
Scheinbaum, Monte L.; Dines, Martin B., Tetrahedron Letters, 1971, (24), 2205-8

合成路线:1 步

反应条件:
参考文献:
Deprotection of N-benzylbenzimidazoles and N-benzylimidazoles with triethylsilane and Pd/C
Graham, Thomas H., Tetrahedron Letters, 2015, 56(21), 2688-2690

合成路线:1 步

反应条件:
参考文献:
Process for preparation of dialkyl imidazole
, China, , ,

合成路线:1 步

参考文献:
Manufacture of stable 2-ethyl-4-methylimidazole compositions
, Japan, , ,

合成路线:1 步

参考文献:
Method for the preparation of imidazoles by dehydrogenation of imidazolines
, United States, , ,

合成路线:1 步

参考文献:
Imidazoles
, Japan, , ,

合成路线:1 步

参考文献:
An approach to the cyclopeptide alkaloids (phencyclopeptines) via heterocyclic diamide/dipeptide equivalents. Preparation and N-alkylation studies of 2,4(5)-disubstituted imidazoles
Lipshutz, Bruce H.; Morey, Matthew C., Journal of Organic Chemistry, 1983, 48(21), 3745-50
相关文献
专业数据库参考
PubChemId 70259
参考资料
Beilstein 213-221-4
化合物详情(旧版)

SMILES

CC1NC(C)=NC=1

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