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Chemical Structure| 132664-85-8 Chemical Structure| 132664-85-8

Structure of 132664-85-8

Chemical Structure| 132664-85-8

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Product Details of [ 132664-85-8 ]

CAS No. :132664-85-8
Formula : C6H9N3
M.W : 123.16
SMILES Code : CC1=CN=C(CN)C=N1
MDL No. :MFCD01314542
InChI Key :MPBCUCGKHDEUDD-UHFFFAOYSA-N
Pubchem ID :2756496

Safety of [ 132664-85-8 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H315-H318-H335
Precautionary Statements:P261-P280-P301+P310-P305+P351+P338
Class:8(6.1)
UN#:2922
Packing Group:

Application In Synthesis of [ 132664-85-8 ]

* 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 [ 132664-85-8 ]

[ 132664-85-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1138555-04-0 ]
  • [ 132664-85-8 ]
  • [ 1138549-36-6 ]
YieldReaction ConditionsOperation in experiment
With aluminum (III) chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20℃; for 0.5h;Product distribution / selectivity; To a solution of ester (2.85 mg, 6.53 mmol), (5-methylpyrazin-2-yl)methanamine (2.45 mL), and DBU (2.93 mL) in DCM (100 mL) was added AlCl3 (2.67 g). The reaction mixture was stirred at rt for 30 min. The reaction was diluted with DCM (100 mL) and 4N NaOH (100 mL) and stirred for 15 min. The layers were separated and the organic layer was washed with H2O (2×100 mL), brine (100 mL), and dried over Na2SO4. The solvent was removed under reduced pressure and the resulting solid was triturated in ACN to give the desired product as a white solid (1.98 g). LCMS (ES): m/z 514 [M+1]+. To a solution of ester (2.24 g, 5.15 mmol), 2-(aminomethyl)-5-methylpyrazine (1.27 g, 10.32 mmol) and DBU (2.3 mL, 15.38 mmol) in DCM (50 mL) was added AlCl3 (2.05 g, 15.39 mmol). The reaction mixture was stirred at rt for 30 min. The reaction was diluted with DCM (200 mL) and 3N NaOH (50 mL) and stirred for 10 min. The layers were separated and the organic layer was washed with H2O (2×100 mL), brine (100 mL), and dried over Na2SO4. The solvent was removed under reduced pressure and the resulting solid was triturated in ACN to give the desired product (1.80 g) as a pale yellow solid. 1H NMR (CDCl3) delta: 11.28 (t, 1H), 9.52 (d, 1H), 8.57 (m, 2H), 8.45 (d, 1H), 7.74 (m, 1H), 7.44 (m, 2H), 6.78 (d, 1H), 4.86 (d, 2H), 3.90 (br, 4H), 2.86 (m, 2H), 2.65 (m, 2H), 2.56 (s, 3H), 2.42 (s, 3H), 2.15 (m, 2H). LCMS (ES): m/z 485 [M+1]+. LCMS (ES): m/z 514 [M+1]+.
 

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[ 132664-85-8 ]

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