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[ CAS No. 2161-87-7 ] {[proInfo.proName]}

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Chemical Structure| 2161-87-7
Chemical Structure| 2161-87-7
Structure of 2161-87-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2161-87-7 ]

CAS No. :2161-87-7 MDL No. :
Formula : C12H12O6 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :252.22 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 2161-87-7 ]

* 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 [ 2161-87-7 ]

[ 2161-87-7 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 2161-87-7 ]
  • [ 3354-82-3 ]
YieldReaction ConditionsOperation in experiment
With chloroform; bromine at 100℃; im geschlossenen Rohr;
  • 2
  • [ 6099-90-7 ]
  • [ 75-36-5 ]
  • [ 2161-87-7 ]
YieldReaction ConditionsOperation in experiment
91% With aluminum (III) chloride; for 1.0h;Reflux; Acetyl chloride (50 mL) was added to the mixture of <strong>[6099-90-7]phloroglucinol dihydrate</strong> (5.01 g, 30.9 mmol) and anhydrous AlCl3 (20.47 g, 154.5 mmol). The reaction was stirred under reflux for 1 h and quenched with 10% HCl (10 mL), water (150 mL) and filtered. The collected precipitate was recrystallized from ethanol to give colorless needle crystals of the product in 7.09 g, 91% yield, mp 155-156 C (lit. mp 156 C [31,32]); 1H NMR (CDCl3) D: 17.16 (3H, s, -OH), 2.72 (9H, s,-C(O)CH3); 13C NMR (CDCl3) D: 205.1, 175.9, 103.3, 33.0; IR(KBr, cm1): 3427.0, 1620.2, 1579.8, 1296.7; HRMS (ESI/methanol)m/z: (M + Na)+ 275.0539 (Calcd for C12H12NaO6: 275.0532).
91% With aluminum (III) chloride; for 1.0h;Reflux; Synthesis of 1-(3,5-Diacetyl-2,4,6-trihydroxyphenyl)-ethanone (1,3,5-Triacetylphloro-glucinol, 2)23,26) Acetyl chloride (50 mL) was added to <strong>[6099-90-7]phloroglucinol dihydrate</strong> (C6H6O3·2H2O) 1(5.01 g, 30.9 mmol) and anhydrous AlCl3(20.47 g, 154.5 mmol). The reaction was stirred under reflux for 1 h and quenched with 10% HCl (10 mL), water (150 mL) and then filtered. The collected precipitate was recrystallized from ethanol to give colorless needle crystals of 2: 7.09 g, 91% yield, mp 155-156C (lit.23,24)mp 155-156C); 1H-NMR (CDCl3) delta: 17.16 (3H, s, -OH), 2.72 (9H, s, -COCH3); 13C-NMR (CDCl3) delta: 205.1, 175.9, 103.3, 33.0; high resolution (HR)-MS (electrospray ionization (ESI)/methanol) m/z: (M+Na)+275.0539 (Calcd for C12H12NaO6: 275.0532).
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