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Chemical Structure| 853803-43-7 Chemical Structure| 853803-43-7

Structure of 853803-43-7

Chemical Structure| 853803-43-7

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Product Details of [ 853803-43-7 ]

CAS No. :853803-43-7
Formula : C9H12N2O3
M.W : 196.20
SMILES Code : O=C(N1N=C(C=O)C=C1)OC(C)(C)C
MDL No. :MFCD24685767

Safety of [ 853803-43-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Application In Synthesis of [ 853803-43-7 ]

* 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 [ 853803-43-7 ]

[ 853803-43-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 853803-43-7 ]
  • [ 63558-65-6 ]
  • tert-butyl 3-[(4-chloropyrimidin-5-yl)(hydroxy)methyl]-1H-pyrazole-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
64% Step 2: torf-Butyl 3-[(4-chloropyrimidiii-5-yl)(b.ydroxy)methy]]-lH-pyrazole-l-carboxylate Into a flame dried RBF with stirbar was added <strong>[63558-65-6]4-chloro-5-iodopyrimidine</strong> (12.3 g, 51 mmol) dissolved in THF (200 mL). The flask was purged with argon and cooled to -95 C. To this solution was added dropwise n-butyllithium (2.5 M in hexane; 43 mL, 107 mmol) at -95 C and the mixture was stirred for 10 min. To this mixture was added fert-butyl 3-formyl-lH-pyrazole-l-carboxylate (9.1 g, 46 mmol) dissolved in THF (30 mL) dropwise at -95 C. The reaction was stirred at -78 C for 30 min. The reaction was quenched with a solution of acetic acid (7.9 mL) in THF (15 mL) and then allowed to warm to rt. Water (80 mL) was added and the mixture extracted with EtOAc (3 ). The combined organic layers were then washed with water and brine, dried over Na2SC>4, filtered and concentrated. The crude product was purified on silica gel to give tert-butyl 3-[(4-chIoropyrimidin-5-yl)(hydroxy)methyl]-lH-pyrazole-l- carboxylate (10.2 g, 64%). LCMS (AA): m/z = 311 (M+H).
 

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