2,5-DibroMothiophene-3,4-dicarboxylic acid
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2,5-DibroMothiophene-3,4-dicarboxylic acid
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CAS No:
190723-12-7
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Formula:
C6H2Br2O4S
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Chemical Name:
2,5-DibroMothiophene-3,4-dicarboxylic acid
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Synonyms:
2,5-Dibromothiophene-3,4-dicarboxylic acid;2,5-Dibromo-3,4-thiophenedicarboxylic acid;3,4-Thiophenedicarboxylic acid, 2,5-dibromo-;ACMC-209eu9;C6H2Br2O4S;SCHEMBL1498222;CTK8B1091;DTXSID80586291;BCP28382;ANW-23503
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CAS No:
2,5-DibroMothiophene-3,4-dicarboxylic acid Basic Attributes
329.95068
327.804047
DTXSID80586291
2934999090
2,5-DibroMothiophene-3,4-dicarboxylic acid Use and Manufacturing
3, 4-dicarboxylic acid thiophene (5 g, 29.04 mmol) and 40 mL of glacial acetic acid were sequentially added to a 100 mL single-mouth bottle.Stir at room temperature, add liquid bromine (8.9 mL, 174.24 mol) to a 25 mL constant pressure dropping funnel.Slowly drip into the reaction flask and react for 12 h. After the reaction is over, The reaction solution was poured into 500 mL of a saturated sodium hydrogensulfate solution and stirred until a beige solid precipitated.Filter under reduced pressure and dry to give a beige solid (8.2 g, 85.6percent).A 500 mL one neck round bottom flask was charged with thiophene-3, 4-dicarboxylic acid (29 g, 0.17 mol) and glacial acetic acid (280 mL). Bromine (52 mL, 1.0 mol) was added dropwise to the reaction flask and the mixture was stirred for 12 hours at RT. An aqueous solution of sodium bisulfate was added until the reddish color disappeared. The mixture was basified and filtered. The filtrate was acidified to give a gray solid which was filtered, washed with cold water, and dried to give the product. The crude product was recrystalized twice from water (60percent).Spectral data: 1H NMR (300 MHz, CDC1
Computed Properties
Molecular Weight:329.95
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:329.80201
Monoisotopic Mass:327.80405
Topological Polar Surface Area:103
Heavy Atom Count:13
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,5-DibroMothiophene-3,4-dicarboxylic acid
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