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Chemical Structure| 3652-17-3 Chemical Structure| 3652-17-3

Structure of 3652-17-3

Chemical Structure| 3652-17-3

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Product Details of [ 3652-17-3 ]

CAS No. :3652-17-3
Formula : C7H7N5
M.W : 161.16
SMILES Code : NC1=NC(C2=CC=NC=C2)=NN1
MDL No. :MFCD00465601
InChI Key :PHYOJNNPPUPKEA-UHFFFAOYSA-N
Pubchem ID :199040

Safety of [ 3652-17-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 3652-17-3 ]

* 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 [ 3652-17-3 ]

[ 3652-17-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 20426-80-6 ]
  • [ 3652-17-3 ]
  • (5-amino-3-(pyridin-4-yl)-1H-1,2,4-triazol-1-yl)(chroman-4-yl)methanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
7% Into a 50 mL of round bottom flask, was placed dihydro-2H-l-benzopyran-4-carboxylic acid (133 mg, 0.72 mmol, 3.00 equiv), N,N-dimethylformamide (5 mL), DMTMM (206 mg, 0.74 mmol, 3.00 equiv). The mixture was stirred for 30 min at room temperature. Then 3-(pyridin- 4-yl)-lH-l,2,4-triazol-5-amine (40 mg, 0.25 mmol, 1.00 equiv) was added. The resulting solution was stirred overnight at 35 C. The reaction was then quenched by the addition of water (30 mL). The resulting solution was extracted with ethyl acetate (30 mL x 3) and the organic layers combined. The resulting mixture was washed with brine (50 mL x 3). The mixture was dried over anhydrous sodium sulfate. The solids were filtered out. The resulting mixture was concentrated under vacuum. The residue was washed with 10 mL of PE/EA (30: 1) to give 5.4 mg (7%) of (5-amino-3-(pyridin-4-yl)-lH-l,2,4-triazol-l-yl)(chroman-4- yl)methanone (25) as a light yellow solid. MS (ES, m/z) [M+H]+: 322; HNMR (DMSO-d6, 400MHz, ppm): δ 8.73(d, J=4.4, 2H), 7.92(d, J=5.6, 2H), 7.88-7.84(m, 2H), 7.20-7.15(m, 2H), 6.86-6.82(m, 2H), 5.08-5.05(m, 1H), 4.26-4.19(m, 2H), 2.41-2.30(m, 2H).
 

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