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Chemical Structure| 95-02-3 Chemical Structure| 95-02-3

Structure of 95-02-3

Chemical Structure| 95-02-3

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Product Details of [ 95-02-3 ]

CAS No. :95-02-3
Formula : C6H10N4
M.W : 138.17
SMILES Code : C1=NC(=NC(=C1CN)N)C
MDL No. :MFCD00078880

Safety of [ 95-02-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P280-P305+P351+P338-P310

Application In Synthesis of [ 95-02-3 ]

* 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 [ 95-02-3 ]

[ 95-02-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 698-29-3 ]
  • [ 95-02-3 ]
YieldReaction ConditionsOperation in experiment
90% With ammonia; hydrogen; In methanol; at 60℃; under 30003 Torr; for 24h;Autoclave; [0267j In an autoclave the mixture of <strong>[698-29-3]4-amino-2-methylpyrimidine-5-carbonitrile</strong> (16 g, 119 mmol), modified Raney nickel (wet weight 15 g), and saturated methanol solution of ammonia (200 mL) was heated to 60 C and stirred for 24 hrs at this temperature under 4 MPa of hydrogen pressure. The resulting reaction mixture was cooled to room temperature and filtered. The filtrate was concentrated under reduced pressure and the resulting residue was purified by silica gel chromatography (CH2C12/MeOH = 30/ii0/i) to afford 14.8 g of 5 -(aminomethyl)-2-methylpyrimidin-4-amine (90 %).
  • 2
  • [ 1878-91-7 ]
  • [ 95-02-3 ]
  • [ 1610784-95-6 ]
YieldReaction ConditionsOperation in experiment
63% General procedure: To a solution of corresponding substituted phenoxyacetic acid 3 or 5 (1.5 mmol) and Et3N (0.16 g, 1.6 mmol) in THF (15 mL) was added ethyl chlorocarbonate (0.17g, 1.6 mmol) in THF (2 mL) slowly at -5C. After the addition was complete, the cold mixture was stirred for an additional 15 min. A solution of 2 (0.22 g, 1.6 mmol) in DMF (2 mL) was added dropwise while the temperature was kept at -5C. After the addition was complete, the mixture was stirred at room temperature for 12 h. It was poured into water (30mL), and the precipitate was collected by filtration and dried in the atmospheric pressure. Recrystallization with appropriate solvent afforded the desired solid compounds 6a-6n. 5.3.6 N-((4-Amino-2-methylpyrimidin-5-yl)methyl)-2-(4-bromophenoxy)acetamide (6f) White solid, yield: 63%, mp 209-210; 1H NMR (CDCl3, 600 MHz): delta 2.48 (s, 3H, CH3), 4.38 (d, 2H, J = 7.2 Hz, CH2), 4.50 (s, 2H, CH2), 5.91 (s, 2H, NH2), 6.78 (d, 1H, J = 9.0 Hz, Ar-H), 7.02 (s, 1H, NH), 7.41 (d, 2H, J = 9.6 Hz, Ar-H), 7.99 (s, 1H, CH); 13C NMR (DMSO-d6, 100 MHz): delta 25.16, 36.43, 67.03, 110.56, 112.78, 117.07, 132.16, 154.87, 156.90, 161.51, 165.70, 168.31. EI-MS m/z (%): 352.1 (M++2, 10.61), 350.2 (M+, 11.10). Anal. Calcd for C14H15BrN4O2: C, 47.88; H, 4.31; N, 15.95. Found: C, 47.58; H, 4.39; N, 15.57.
 

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