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Chemical Structure| 5571-03-9 Chemical Structure| 5571-03-9

Structure of 5571-03-9

Chemical Structure| 5571-03-9

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Product Details of [ 5571-03-9 ]

CAS No. :5571-03-9
Formula : C7H8N2O2
M.W : 152.15
SMILES Code : O=C(C1=CN=C(C)N=C1)OC
MDL No. :MFCD11111634
InChI Key :XGWMLJAOJOALRA-UHFFFAOYSA-N
Pubchem ID :45117333

Safety of [ 5571-03-9 ]

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

Application In Synthesis of [ 5571-03-9 ]

* 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 [ 5571-03-9 ]

[ 5571-03-9 ] Synthesis Path-Downstream   1~14

YieldReaction ConditionsOperation in experiment
To a solution of acetamide hydrochloride in dimethylformamide was added preformed sodium 2-(dimethoxymethyl)-3-methoxy-3-oxoprop-1-en-1-olate. Reaction mixture was heated to 100 C. for 1 h. to give methyl 2-methylpyrimidine-5-carboxylate.
  • 2
  • [ 124-42-5 ]
  • sodium (1Z)-2-(dimethoxymethyl)-3-methoxy-3-oxoprop-1-en-1-olate [ No CAS ]
  • [ 5571-03-9 ]
  • 5
  • [ 143-37-3 ]
  • methyl 1,2,3-triazine-5-carboxylate [ No CAS ]
  • [ 5571-03-9 ]
  • 6
  • methyl 1,2,3-triazine-5-carboxylate [ No CAS ]
  • [ 1000-84-6 ]
  • [ 5571-03-9 ]
  • 8
  • ethanimidamide hydrochloride [ No CAS ]
  • 3,3-dimethoxy-2-methoxycarbonyl-1-propen-1-ol sodium salt [ No CAS ]
  • [ 5571-03-9 ]
YieldReaction ConditionsOperation in experiment
53% In N,N-dimethyl-formamide; at 100.0℃; for 3.0h; [0186] To a stuffed solution of compound 11(60 g; 340 mmol; 1 eq) in dry DMF (1L) was added acetamidine hydrochloride (38.6 g; 409 mmol; 1.2 eq) and the resulting mixture was heated at 100 C for 3 h. The mixture was quenched with water (500 mL) and the organic components were extracted with ethyl acetate (2 x 200 mL). The combined organic layers were washed with water and brine, dried over anhydrous sodium sulfate, filtered and concentrated in vacuo to obtain the title compound (27 g, 53%). 1H NMR (CDC13) oe 9.13 (s, 2H), 3.93 (s, 3H), 2.77 (s, 3H).
  • 9
  • [ 5571-03-9 ]
  • [ 859162-69-9 ]
YieldReaction ConditionsOperation in experiment
25.7% With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 10.0h;Reflux; A mixture of <strong>[5571-03-9]methyl 2-methylpyrimidine-5-carboxylate</strong> (1.000 g, 6.572 mmol), 1-bromopyrrolidine-2,5-dione (NBS, 1.228 g, 6.901 mmol) and Azobisisobutyronitrile (AIBN, 0.432 g, 2.629 mmol) in carbon tetrachloride (6 mL) prepared at the room temperature was heated at reflux for 10 hr, and cooled down to the ambient temperature. Then, water was added to the reaction mixture, followed by extraction with dichloromethane. The organic layer was washed with aqueous saturated sodium chloride solution, dried with anhydrous Mg504, filtered, and concentrated in vacuo. The residue was chromatographed (5i02, 24 g cartridge; ethyl acetate / hexane = 0 % to 15 %) to give methyl 2-(bromomethyl)pyrimidine-5-carboxylate as gray solid (0.390 g, 25.7 %).
  • 10
  • [ 5571-03-9 ]
  • N-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl)methyl)-N-phenylmethanesulfonamide [ No CAS ]
  • 11
  • [ 5571-03-9 ]
  • methyl 2-((N-phenylmethylsulfonamido)methyl)pyrimidine-5-carboxylate [ No CAS ]
  • 12
  • [ 5571-03-9 ]
  • N-((5-(hydrazinecarbonyl)pyrimidin-2-yl)methyl)-N-phenylmethanesulfonamide [ No CAS ]
  • 13
  • [ 5571-03-9 ]
  • N-phenyl-N-((5-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl)methyl)methanesulfonamide [ No CAS ]
  • 14
  • [ 124-42-5 ]
  • methyl 1,2,3-triazine-5-carboxylate [ No CAS ]
  • [ 5571-03-9 ]
 

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