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Chemical Structure| 38941-29-6 Chemical Structure| 38941-29-6

Structure of 38941-29-6

Chemical Structure| 38941-29-6

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Product Details of [ 38941-29-6 ]

CAS No. :38941-29-6
Formula : C11H15N3
M.W : 189.26
SMILES Code : CC1=CC=CC=C1CNC2=NCCN2
MDL No. :MFCD20545875

Safety of [ 38941-29-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 38941-29-6 ]

* 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 [ 38941-29-6 ]

[ 38941-29-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 38941-29-6 ]
  • [ 57611-47-9 ]
  • [ 1616632-77-9 ]
YieldReaction ConditionsOperation in experiment
With pyridinium p-toluenesulfonate; for 6h;Inert atmosphere; Dean-Stark; Reflux; To a stirred 800 mE saturated NaHCO3 in a 2 E round bottom flask, compound (3)(239.7 g, 0.845 mol, 1.6 equiv) was added in portions. n-Butanol (500 mE) was added to theresulting mixture and the mixture was stirred for 30 mm and then transferred to a separatingfunnel. The organic phase, containing compound (4), was separated and transferred to a 2 Ethree-neck round bottom flask equipped with mechanical stirring, N2 inlet, a thermocouple, acondenser and a Dean-Stark trap. Compound (5) (100 g, 0.528 mol, 1 equiv) and pyridinium poluenesulfonate (PPTS) (6.63 gm 0M26 mol, 5 mol%) were added to the contents of the flask. The resulting mixture was heated to refiux ibr 6 hours. Water in the reaction mixture was separated into the Dean-Stark trap as necessary. Refiuxing temperature increased from 93to 118 C. Reaction progress was monitored by HPLC. When the peak area of con pound(1) on HPLC remained constant with the reaction time, the reaction was stopped.
  • 2
  • [ 38941-29-6 ]
  • [ 57611-47-9 ]
  • sodium methyl alcohol [ No CAS ]
  • [ 1616632-77-9 ]
YieldReaction ConditionsOperation in experiment
22.1% 7-Benzyl-4-(2-methylbenzyl)-1,2,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]-pyrimidin-5(4H)-one (TIC10) Methyl 1-benzyl-4-oxopiperidine-3-carboxylate (100 mg, 0.4 mmol), N-(2-methylbenzyl)-4,5-dihydro-1H-imidazol-2-amine (128 mg, 0.4 mmol), sodium methyl alcohol (66 mg, 1.2 mmol), was dissolved in methanol (3 mL). The mixture was refluxed for 15 h under N2. LC-MS confirmed the reaction was completed. The mixture was cooled down to room temperature. About half of solvent was removed. Water was added dropwise. Solid came out slowly. The suspension was filtered. The filtered cake was washed with water, dried under vacuum to afford TIC10(30.0 mg, yield 22.1%). 1HNMR (DMSO-d6) delta 2.31 (s, 3H), 2.50-2.56 (m, 2H), 2.65 (m, 2H), 3.04 (s, 2H),3.63-3.70 (m, 4H), 3.97 (t, J=8.8 Hz, 2H), 4.86 (s, 2H), 6.88 (d, J=6.4 Hz, 1H), 7.1-7.2 (m, 3H), 7.3-7.4 (m, 5H); LC-MS: m/z=387.2(M+1).
 

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