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Chemical Structure| 620-79-1 Chemical Structure| 620-79-1

Structure of 620-79-1

Chemical Structure| 620-79-1

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Product Details of [ 620-79-1 ]

CAS No. :620-79-1
Formula : C13H16O3
M.W : 220.26
SMILES Code : O=C(C)C(CC1=CC=CC=C1)C(OCC)=O
MDL No. :MFCD00009156
Boiling Point : No data available
InChI Key :XDWQYMXQMNUWID-UHFFFAOYSA-N
Pubchem ID :246929

Safety of [ 620-79-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H317-H319
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 620-79-1 ]

* 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 [ 620-79-1 ]

[ 620-79-1 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 620-79-1 ]
  • [ 108-46-3 ]
  • [ 86-44-2 ]
YieldReaction ConditionsOperation in experiment
at 65℃; for 4h; General procedure: To a stirred solution of the above mentioned products in PPA 3 g,resorcino (1 eq) was added. The reaction mixture was stirred at65 C for 4 h. The mixture solution had to rest overnight, thendiluted with 100 mL water. The precipitated solid was filtered off,washed with water to give the crude product. The crude productwas purified by silica gel chromatography using cyclohexane-ethylacetate as eluate to give 7-hydroxy-chromen-2-one derivatives(67%).
  • 2
  • [ 1709-59-7 ]
  • [ 620-79-1 ]
  • [ 129841-13-0 ]
  • 3
  • [ 7446-70-0 ]
  • [ 98-95-3 ]
  • [ 620-79-1 ]
  • [ 108-46-3 ]
  • [ 86-44-2 ]
  • 4
  • [ 6100-60-3 ]
  • [ 620-79-1 ]
  • 3-benzyl-7-hydroxy-6-methoxy-4-methyl-chromen-2-one [ No CAS ]
  • 6
  • [ 6099-90-7 ]
  • [ 620-79-1 ]
  • [ 219551-85-6 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; In ethanol; a) 3-Benzyl-5,7-dihydroxy-4-methyl-2H-1-benzopyran-2-one A solution of <strong>[6099-90-7]phloroglucinol dihydrate</strong> (20 g) and ethyl 2-benzylacetoacetate (27.5 ml) in ethanol (320 ml) was treated with dry HCl at 0 C. for five hours and the solution was kept at that temperature overnight. The yellow solution was concentrated and triturated with water, the solids filtered, washed with water and dried. The resulting hydrate was thrice evaporated to dryness from toluene, triturated with petroleum ether (bp. 40-60 C.) and filtered. Yield 33,4 g (96%). Melting point 258-260 C. 1H-NMR (DMSO-d6, 400 MHz): 2.525 (s, 3H, CH3), 3.887 (s, 2 H, CH2Ph), 6.171 (d, 1H, J=2,4 Hz), 6.274 (d, 1H, J=2,4 Hz), 7.167-7.279 (m, 5H, Ph), 10.2 (s,1H, OH), 10.47 (s, 1H, OH).
With hydrogenchloride; In ethanol; a 3-Benzyl-5,7-dihydroxy-4-methyl-2H -1 -benzopyran-2-one STR8 A solution of <strong>[6099-90-7]phloroglucinol dihydrate</strong> (20 g) and ethyl 2-benzylacetoacetate (27.5 ml) in ethanol (320 ml) was treated with dry HCl at 0 C. for five hours and the solution was kept at that temperature overnight. The yellow solution was concentrated and triturated with water, the solids filtered, washed with water and dried. The resulting hydrate was thrice evaporated to dryness from toluene, triturated with pethroleum ether (bp. 40-60 C.) and filtered. Yield 33,4 g (96%). Melting point 258-260 C. 1 H-NMR (DMSO-d6, 400 MHz): 2.525 (s, 3H, CH3), 3.887 (s, 2 H, CH2 Ph), 6.171 (d,1H, J=2,4 Hz), 6.274 (d,1H, J=2,4 Hz), 7.167-7.279 (m, 5H, Ph), 10.2 (s, 1H, OH), 10.47 (s, 1H, OH).
  • 7
  • [ 1004-38-2 ]
  • [ 620-79-1 ]
  • [ 4871-67-4 ]
YieldReaction ConditionsOperation in experiment
81 - 85% In diphenylether; at 20 - 210℃; for 4h; EXAMPLE 2 2,4-diamino-5-methyl-6-benzyl-7-[(3,5-dimethoxybenzyl)methylamino]-pyrido[2,3-d]pyrimidine, shown in Formula (II-a) above, was synthesized. A mixture of <strong>[1004-38-2]2,4,6-triaminopyrimidine</strong> (1) (1.0 eq., 10 mmol) and ethyl 2-benzylacetoacetate (13) (1.2 eq.) in diphenyl ether (3 mL/mmol) was stirred at 210 C. for 2 hours under argon. A second portion of ethyl 2-benzylacetoacetate (1.2 eq.) was added at near room temperature and heated at 210 C. for another 2 hours under argon. The mixture was cooled down to room temperature and 30 mL MeOH was added. The resulting precipitates were filtered and washed with MeOH twice. The precipitates were further suspended in boiling water (30 mL) and stirred for 30 min. and washed with hot water, followed by MeOH, dried in vacuo to obtain 2,4-diamino-5-methyl-6-benzyl-8H-pyrido[2,3-d]pyrimidin-7-one (14) (yield 81%-85%).
  • 8
  • [ 7504-94-1 ]
  • [ 620-79-1 ]
  • 4-benzyl-3-methyl-1-(pyrimidin-2-yl)-1H-pyrazol-5-ol [ No CAS ]
 

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