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Chemical Structure| 958245-18-6 Chemical Structure| 958245-18-6
Chemical Structure| 958245-18-6

3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline

CAS No.: 958245-18-6

4.5 *For Research Use Only !

Cat. No.: A708730 Purity: 98%

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Product Details of [ 958245-18-6 ]

CAS No. :958245-18-6
Formula : C11H13N3O
M.W : 203.24
SMILES Code : COC1=C(C=CC(N)=C1)N1C=NC(C)=C1
MDL No. :MFCD11870475

Safety of [ 958245-18-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 958245-18-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 958245-18-6 ]

[ 958245-18-6 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 958245-18-6 ]
  • [ 1303587-99-6 ]
  • N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
71% With hydrogenchloride; In water; isopropyl alcohol; at 100℃; for 12h;Inert atmosphere; Sealed tube; Synthesis ofN-(3-methoxy-4-(4-methyl-lH-imidazol-l-yl)phenyl)-7,8-dihydro-6H- pyrimidof 5, 4-b] [ 1, 4J oxazin-2 -amine [0349] To a stirred solution of 2-chloro-7, 8-dihydro-6H-pyrimido [5, 4-b] [1, 4] oxazine (1 g, 5.84 mmol) in isopropyl alcohol (5 mL) under argon atmosphere were added 3- methoxy-4-(4-methyl-lH-imidazol-l-yl)aniline (1.18 g, 5.84 mmol) and hydrochloric acid (12M, 0.5 mL) at RT. The reaction mixture was stirred at 100 C for 12 h in a sealed tube. After completion of the reaction (monitored by TLC), the reaction was basified with a saturated sodium bicarbonate solution (50 mL) and extracted with a 10% MeOH:EtOAc solution (2 x 50 mL). The combined organic extracts were dried over sodium sulfate, filtered and concentrated in vacuo. The crude material was purified by silica gel column chromatography using 2% MeOH:EtOAc to afford N-(3 -methoxy-4-(4-methyl- lH-imidazol- l-yl)phenyl)-7,8-dihydro-6H-pyrimido[5,4-b][l,4]oxazin-2-amine (1.4 g, 71%) as a pale yellow solid. 1H-NMR (DMSO-< 5, 400 MHz): delta 8.98 (s, 1H), 7.78-7.77 (m, 1H), 7.76-7.58 (m, 2H), 7.54 (s, 1H), 7.34 (d, 1H), 7.11 (d, 1H), 6.99 (s, 1H), 4.07-4.05 (m, 2H), 3.77 (s, 3H), 3.45-3.43 (m, 2H), 2.13 (s, 3H); LC-MS: 339.2 (M+l); (column; X-Bridge C-18 (50 3.0 mm, 3.5 mupiiota); RT 1.99 min. 0.05% Aq TFA: ACN; 0.80 mL/min); TLC: 5% MeOH:CH2Cl2 (R 0.4).
 

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