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[ CAS No. 713-57-5 ]

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2D
Chemical Structure| 713-57-5
Chemical Structure| 713-57-5
Structure of 713-57-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 713-57-5 ]

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SDS

Product Details of [ 713-57-5 ]

CAS No. :713-57-5MDL No. :MFCD00496597
Formula : C10H10O4 Boiling Point : 342°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :194.18Pubchem ID :164720
Synonyms :

Computed Properties of [ 713-57-5 ]

TPSA : 63.6 H-Bond Acceptor Count : 4
XLogP3 : - H-Bond Donor Count : 1
SP3 : 0.20 Rotatable Bond Count : 4

Safety of [ 713-57-5 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 713-57-5 ]

  • Downstream synthetic route of [ 713-57-5 ]

[ 713-57-5 ] Synthesis Path-Downstream   1~10

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YieldReaction ConditionsOperation in experiment
With hydrogenchloride; barium dihydroxide; In ethanol; EXAMPLE 11 Ethyl hydrogenterephthalate A soxlet extractor was charged with 3.83 g (0.022 mol) of anhydrous barium hydroxide and continuously extracted for 10 hours with hot ethanol into a refluxing mixture of 10 g (0.045 mmol) of diethyl terephthalate in 100 ml of absolute ethanol. The resultant white precipitate was filtered and then washed with ethanol. The precipitate was suspended in 100 ml ether and treated with excess dilute HCl. After extraction, the ether layer was separated and washed successively with water and saturated NaCl solution and then dried (MgSO4). The ether solution was filtered and the solvent removed in-vacuo. The resultant residue was recrystallized from acetonitrile to give the title compound as a white solid. PMR (CDCl3): delta1.40 (3H, t, J~7.0 Hz), 4.40 (2H, q, J~7.0 Hz), 8.10 (4H, s), 9.1 (1H, broad s).
With hydrogenchloride; barium dihydroxide; In ethanol; EXAMPLE 22 Ethyl hydrogenterephthalate Anhydrous barium hydroxide (3.83 g, 0.022 mol), was placed in a Soxhlet extractor and continuously extracted for 10 hours with hot ethanol into a refluxing mixture of 10 g (0.045 mol) of diethyl terephthalate in 100 ml of absolute ethanol. The resultant white precipitate was filtered and then washed with ethanol. The precipitate was suspended in 100 ml ether and treated with excess dilute HCl. After extraction, the ether layer was separated and washed successively with water and saturated NaCl solution and then dried (MgSO4). The ether solution was filtered and the solvent removed in-vacuo. The resultant residue was recrystallized from acetonitrile to give the title compound as a white solid. PMR (CDCl3): delta 1.40 (3H, t, J~7.0 Hz), 4.40 (2H, q, J~7.0 Hz), 8.10 (4H, s), 9.1 (1H, broad s).
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