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Structure of 1224944-46-0

Chemical Structure| 1224944-46-0

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Product Details of [ 1224944-46-0 ]

CAS No. :1224944-46-0
Formula : C7H5N3O3
M.W : 179.13
SMILES Code : O=C(C1=C2NC(C=CN2N=C1)=O)O
MDL No. :MFCD20660725
InChI Key :BUPOQCSUQCCPAW-UHFFFAOYSA-N
Pubchem ID :135741773

Safety of [ 1224944-46-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 1224944-46-0 ]

* 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 [ 1224944-46-0 ]

[ 1224944-46-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 67-56-1 ]
  • [ 1224944-46-0 ]
  • [ 1224944-51-7 ]
YieldReaction ConditionsOperation in experiment
90% A mixture of 5-oxo-4,5-dihydropyrazolo[1,5-c]pyrimidine-3-carboxylic acid (151 mg, 0.84 mM, 1.0 equiv), phosphorus oxychloride (20 mL) and N,N-diisopropylethylamine (440 uL, 2.5 mM, 3.0 equiv), were heated under reflux for 2 hours. The reaction mixture was cooled to ambient temperature overnight then concentrated under reduced pressure. The residue was dissolved in 20 mL of methanol, stirred for 30 minutes and concentrated under vacuum. The residue was partitioned between ethyl acetate and water. The organic phase was washed with brine, dried over sodium sulfate, filtered through a pad of silica gel and concentrated to give 160 mg (90%) of methyl 5-chloropyrazolo[1,5-c]pyrimidine-3-carboxylate LCMS (ESI) m+H=212.2, 1H NMR (400 MHz, DMSO-d6) delta: 9.34 (d, 1H), 8.68 (s, 1H), 7.42 (d, 1H), 3.83 (s, 3H).
 

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Related Functional Groups of
[ 1224944-46-0 ]

Amides

Chemical Structure| 926663-00-5

A767808 [926663-00-5]

Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

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Chemical Structure| 1224288-95-2

A680486 [1224288-95-2]

5-Oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

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Related Parent Nucleus of
[ 1224944-46-0 ]

Other Aromatic Heterocycles

Chemical Structure| 926663-00-5

A767808 [926663-00-5]

Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

Similarity: 0.93

Chemical Structure| 1224288-95-2

A680486 [1224288-95-2]

5-Oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Similarity: 0.87