5,7-dichlorothiazolo[5,4-d]pyrimidine
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![5,7-dichlorothiazolo[5,4-d]pyrimidine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/40443e67b66c4107a0a70e3dc05c7dd4.png "5,7-dichlorothiazolo[5,4-d]pyrimidine")
5,7-dichlorothiazolo[5,4-d]pyrimidine
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CAS No:
13479-88-4
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Formula:
C5HCl2N3S
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Chemical Name:
5,7-dichlorothiazolo[5,4-d]pyrimidine
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Synonyms:
5,7-dichlorothiazolo[5,4-d]pyrimidine;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;5,7-Dichloro-thiazolo[5,4-d]pyrimidine;Thiazolo[5,4-d]pyrimidine, 5,7-dichloro-;SCHEMBL4406749;CTK4B9436;DTXSID70346104;ACT01634;BCP01359;KS-000001MX
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CAS No:
Characteristics
66.9
2.9
1.767±0.06 g/cm3(Predicted)
148.5-149.5 °C
281.2±22.0 °C(Predicted)
123.9ºC
1.730
0.00615mmHg at 25°C
5,7-dichlorothiazolo[5,4-d]pyrimidine Use and Manufacturing
Into a 10 mL round-bottom flask, were placed intermediate 45.2 (100 mg, 0.59 mmol, 1.00 equiv), DIEA (0.5 mL) and POC13 (2 mL). The reaction was stirred for 12 h at 100 °C. The resulting mixture was concentrated under vacuum and the crude product was purified using flash column chromatography to provide 100 mg (82percent) of intermediate 45.3 as yellow oil.To a 0 °C solution of the aforementioned intermediate 3 (1.4 g, 8.3 mmol) in ethyldiisopropylamine (2.1 g, 16.6 mmol) was added phosphorus oxychloride (30 mL), and the resulting mixture was heated at 110°C for 3 hours. It was then cooled to the room temperature, the solvents were removed under vacuum, and the residue was diluted with saturated aqueous sodium bicarbonate (50 mL) and ethyl acetate (50 mL). The layers were separated and the aqueous phase was extracted with ethyl acetate (2 x 50 mL), the combined organic layers were dried over sodium sulfate and then concentrated to give the intermediate 4 (955 mg, 56percent) as brown solid.
Computed Properties
Molecular Weight:206.05
XLogP3:2.9
Hydrogen Bond Acceptor Count:4
Exact Mass:204.9268236
Monoisotopic Mass:204.9268236
Topological Polar Surface Area:66.9
Heavy Atom Count:11
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5,7-dichlorothiazolo[5,4-d]pyrimidine
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