6-BROMO-4-CHLOROTHIENO[2,3-D]PYRIMIDINE
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![6-BROMO-4-CHLOROTHIENO[2,3-D]PYRIMIDINE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9cf97ebce0794d719e787356f7c7bb7b.png "6-BROMO-4-CHLOROTHIENO[2,3-D]PYRIMIDINE")
6-BROMO-4-CHLOROTHIENO[2,3-D]PYRIMIDINE
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CAS No:
56844-12-3
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Formula:
C6H2BrClN2S
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Chemical Name:
6-BROMO-4-CHLOROTHIENO[2,3-D]PYRIMIDINE
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Synonyms:
6-Bromo-4-chlorothieno[2,3-d]pyrimidine;Thieno[2,3-d]pyrimidine, 6-bromo-4-chloro-;PubChem14681;SCHEMBL654782;CHEMBL3416445;CTK5A5780;DTXSID50481264;KS-000006RB;ANW-48510;CB0239
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CAS No:
6-BROMO-4-CHLOROTHIENO[2,3-D]PYRIMIDINE Basic Attributes
249.51
247.881058
DTXSID50481264
2934999090
6-BROMO-4-CHLOROTHIENO[2,3-D]PYRIMIDINE Use and Manufacturing
Compound 3 (32.7 g, 142 mmol) was mixed with POCl[0121] 6-Bromothieno[2, 3-d]pyrimidin-4(3H)-one (7.02 g, 30.4 mmol, 1.0 equiv) was taken up in 100 mL POCI3 and refluxed for 6 h. Upon completion, the reaction was concentrated in vacuo and the residue was taken up in 10 mL acetonitrile and heated to reflux for 10 min. The acetonitrile solution was then poured in a flask and cooled. The ppt was then filtered and washed with hexane to give 6-bromo-4-chlorothieno[2, 3-d]pyrimidine (5.51 g, 72.7 percent yield) as a tan solid. NMR (400 MHz, CHLOROFORM-d) δ ppm 8.80 (s, 1 H), 7.47 (s, 1 H).Step B: Preparation of 6-bromo-4-chlorothieno[2, 3-d]pyrimidine: To 6-bromothieno[2, 3-d]pyrimidin-4-ol (3.0 g, 19.7 mmol) was added phosphorus oxychloride (5 mL). After heating to 80 °C for 1.5 hours, the reaction mixture was poured into saturated NaHCO.
Computed Properties
Molecular Weight:249.52
XLogP3:3.5
Hydrogen Bond Acceptor Count:3
Exact Mass:247.88106
Monoisotopic Mass:247.88106
Topological Polar Surface Area:54
Heavy Atom Count:11
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-BROMO-4-CHLOROTHIENO[2,3-D]PYRIMIDINE
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