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Chemical Structure| 66346-59-6 Chemical Structure| 66346-59-6

Structure of 66346-59-6

Chemical Structure| 66346-59-6

5,7-Dihydroxy-4-propyl-2H-chromen-2-one

CAS No.: 66346-59-6

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Cat. No.: A650379 Purity: 95%

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Product Details of [ 66346-59-6 ]

CAS No. :66346-59-6
Formula : C12H12O4
M.W : 220.22
SMILES Code : O=C1C=C(CCC)C2=C(O1)C=C(O)C=C2O
MDL No. :MFCD01472300

Safety of [ 66346-59-6 ]

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 [ 66346-59-6 ]

* 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 [ 66346-59-6 ]

[ 66346-59-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 3249-68-1 ]
  • [ 6099-90-7 ]
  • [ 66346-59-6 ]
YieldReaction ConditionsOperation in experiment
With sulfuric acid; In ethyl acetate; EXAMPLE 1 5,7-Dihydroxy-4-propylcoumarin5 (2) Concentrated sulfuric acid (200 mL) was added into a mixture of <strong>[6099-90-7]phloroglucinol dihydrate</strong> (150 g, 0.926 mol) and ethyl butyrylacetate (161 g, 1.02 mol). The resulting mixture was stirred at 90 C. for two hours whereupon it was poured onto ice. The solid product was collected by filtration, and then dissolved in ethyl acetate. The solution was washed with brine and dried over Na2 SO4. After removal of the solvent in vacuo, the residue was triturated with hexane to provide essentially pure compound 2 (203 g) in quantitative yield, mp 233-235 C. (Lit.5 236-238 C.). 1 H-NMR5 (DMSO-d6) delta 0.95 (3H,t,J=6.9 Hz, CH3); 1.63 (2H, apparent sextet, J=7.0 Hz, CH2); 2.89 (2H,t,J=7.5 Hz, CH2); 5.85 (1H, s, H3); 6.22 (1H, d, J=2.0 Hz, H6); 6.31 (1H, d, J=2.0 Hz, H8); 10.27 (1H, s, OH); 10.58 (1H, s, OH); MS (EI); 220(100, M+); 205 (37.9, M-CH3); 192 (65.8, M-C2 H4); 177 (24.8, M-C3 H7); 164 (60.9, M-CHCO2 +1); 163 (59.6 M-CHCO2); IR (KBr): 3210 (vs and broad, OH); 1649 (vs, sh); 1617 (vs, sh); 1554 (s) cm-1; Anal. calcd. for C12 H24 O4: C, 65.45; H, 5.49; Found: C, 65.61; H, 5.44.
With sulfuric acid; In ethyl acetate; EXAMPLE 1 5,7-Dihydroxy-4-propylcoumarin5 (2) Concentrated sulfuric acid (200 mL) was added into a mixture of <strong>[6099-90-7]phloroglucinol dihydrate</strong> (150 g, 0.926 mol) and ethyl butyrylacetate (161 g, 1.02 mol). The resulting mixture was stirred at 90 C. for two hours whereupon it was poured onto ice. The solid product was collected by filtration, and then dissolved in ethyl acetate. The solution was washed with brine and dried over Na2 SO4. After removal of the solvent in vacuo, the residue was triturated with hexane to provide essentially pure compound 2 (203 g) in quantitative yield, mp 233-235 C. (Lit.5 236-238 C.). 1 H-NMR5 (DMSO-d6) delta0.95 (3H,t,J=6.9 Hz, CH3); 1.63 (2H, apparent sextet, J=7.0 Hz, CH2); 2.89 (2H,t,J=7.5Hz,CH2); 5.85 (1H, s, H3); 6.22 (1H, d, J=2.0 Hz, H6); 6.31 (1H, d, J=2.0 Hz, H8); 10.27 (1H, s, OH); 10.58 (1H, s, OH); MS (EI); 220(100, M+); 205 (37.9, M-CH3); 192 (65.8, M-C2 H4); 177 (24.8, M-C3 H7); 164 (60.9, M-CHCO2 +1); 163 (59.6 M-CHCO2); IR (KBr): 3210 (vs and broad, OH); 1649 (vs, sh); 1617 (vs, sh); 1554 (s) cm-1; Anal. calcd. for C12 H24 O4: C, 65.45; H, 5.49; Found: C, 65.61; H, 5.44.
With sulfuric acid; In ethyl acetate; EXAMPLE 1 5,7-Dihydroxy-4-propylcoumarin5 (2) Concentrated sulfuric acid (200 mL) was added into a mixture of <strong>[6099-90-7]phloroglucinol dihydrate</strong> (150 g, 0.926 mol) and ethyl butyrylacetate (161 g, 1.02 mol). The resulting mixture was stirred at 90C for two hours whereupon it was poured onto ice. The solid product was collected by filtration, and then dissolved in ethyl acetate. The solution was washed with brine and dried over Na2 SO4. After removal of the solvent in vacuo, the residue was triturated with hexane to provide essentially pure compound 2 (203 g) in quantitative yield, mp 233-235 C. (Lit.5 236-238 C.). 1 H-NMR5 (DMSO-d6) delta 0.95 (3H,t,J=6.9 Hz, CH3); 1.63 (2H, apparent hextet, J=7.0 Hz, CH2); 2.89 (2H,t,J=7.5 Hz,CH2); 5.85 (1H, s, H3); 6.22 (1H, d, J=2.0 Hz, H6); 6.31 (1H, d, J=2.0 Hz, H8); 10.27 (1H, s, OH); 10.58 (1H, s, OH); MS (EI); 220(100, M+); 205 (37.9, M--CH3); 192 (65.8, M--C2 H4); 177 (24.8, M--C3 H7); 164 (60.9, M--CHCO2 +1); 163 (59.6 M--CHCO2); IR (KBr): 3210 (vs and broad, OH); 1649 (vs, sh); 1617 (vs, sh); 1554 (s) cm-1); Anal. calcd. for C12 H24 O4: C, 65.45; H, 5.49; Found: C, 65.61; H, 5.44.
In ethyl acetate; EXAMPLE 1 5,7-Dihydroxy-4-propylcoumarin55 (2) Concentrated sulfric acid (200 mL) was added into a mixture of <strong>[6099-90-7]phloroglucinol dihydrate</strong> (150 g, 0.926 mol) and ethyl butyrylacetate (161 g, 1.02 mol). The resulting mixture was stirred at 90 C. for two hours whereupon it was poured onto ice. The solid product was collected by filtration, and then dissolved in ethyl acetate. The solution was washed with brine and dried over Na2SO4. After removal of the solvent in vacuo, the residue was triturated with hexane to provide essentially pure compound 2 (203 g) in quantitative yield, mp 233-235 C. (Lit.55 236-238 C.). 1H-NMR55 (DMSO-6) delta0.95 (3H, t, J=6.9 Hz, CH3); 1.63 (2H, apparent sextet, J=7.0 Hz, CH2); 2.89 (2H, t, J=7.5Hz,CH2); 5.85 (1H, s, H3); 6.22 (1H, d, J=2.0 Hz, H6); 6.31 (1H, d, J=2.0 Hz, H8); 10.27 (1H, s, OH); 10.58 (1H, s, OH); MS (EI); 220(100, M+); 205 (37.9, M-CH3); 192 (65.8, M-C2H4); 177 (24.8, M-C3H7); 164 (60.9, M-CHCO2+1); 163 (59.6 M-CHCO2); IR (KBr): 3210 (vs and broad, OH); 1649 (vs, sh); 1617 (vs, sh); 1554 (s) cm-1; Anal. calcd. for C12H24O4: C, 65.45; H, 5.49;.Found: C, 65.61; H, 5.44.
With sulfuric acid; In ethyl acetate; EXAMPLE 1 5,7-Dihydroxy4-propylcoumarin5 (2) Concentrated sulfuric acid (200 mL) was added into a mixture of <strong>[6099-90-7]phloroglucinol dihydrate</strong> (150 g, 0.926 mol) and ethyl butyrylacetate (161 g, 1.02 mol). The resulting mixture was stirred at 90 C. for two hours whereupon it was poured onto ice. The solid product was collected by filtration, and then dissolved in ethyl acetate. The solution was washed with brine and dried over Na2SO4. After removal of the solvent in vacuo, the residue was triturated with hexane to provide essentially pure compound 2 (203 g) in quantitative yield, mp 233-235 C. (Lit.5 236-238 C.). 1H-NMR5 (DMSO-d6) delta0.95 (3H, t, J=6.9 Hz, CH3); 1.63 (2H, apparent sextet, J=7.0 Hz, CH2); 2.89 (2H, t, J=7.5Hz, CH2); 5.85 (1H, s, H3); 6.22 (1H, d, J=2.0 Hz, H6); 6.31 (1H, d, J=2.0 Hz, H8); 10.27 (1H, s, OH); 10.58 (1H, s, OH); MS (EI); 220(100, M+); 205 (37.9, M-1055 CH3); 192 (65.8, M-C2H4); 177 (24.8, M-C3H7); 164 (60.9, M-CHCO2+1); 163 (59.6 M-CHCO2); IR (KBr): 3210 (vs and broad, OH); 1649 (vs, sh); 1617 (vs, sh); 1554 (s) cm-1; Anal. calcd. for C12H24O4: C, 65.45; H, 5.49; Found: C, 65.61; H, 5.44.

 

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