5,7-DICHLOROPYRAZOLO[1,5-A]PYRIMIDINE
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![5,7-DICHLOROPYRAZOLO[1,5-A]PYRIMIDINE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bddb0162659e4851b0e0c094d503130b.png "5,7-DICHLOROPYRAZOLO[1,5-A]PYRIMIDINE")
5,7-DICHLOROPYRAZOLO[1,5-A]PYRIMIDINE
structure -
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CAS No:
57489-77-7
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Formula:
C6H3Cl2N3
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Chemical Name:
5,7-DICHLOROPYRAZOLO[1,5-A]PYRIMIDINE
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Synonyms:
5,7-DICHLOROPYRAZOLO[1,5-A]PYRIMIDINE;7-dichloropyrazolo[1;Pyrazolo[1,5-a]pyrimidine, 5,7-dichloro-
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CAS No:
5,7-DICHLOROPYRAZOLO[1,5-A]PYRIMIDINE Use and Manufacturing
POC13 (130 mL) was added to pyrazolo[1, 5-a]pyrimidine-5, 7-diol (10g. 66 rnrnol). The suspension was cooJed to 0 °C ard N, N-dimethylaniline (23 mL. 179 mmoi) was siowy added. After warming to room temperature, the reaction was heated at 60 °C under N2 for 16 hr. Upon coohng, the reactior mixture was concentrated in aeuo to give a brown viscous liquid, which was slowly poured onto ice and aIowed to warm to room temperature. The pH was adjustedpH 8 with saturated NaHCO3. The organic layer was then extracted with CH2C12 (4 x 50 mL), dried (MgSO4), and concentrated in vacuo to give a brown ‘iquid. Purification by flash column chromatography using 1:1 v/v DCM:hexanes to 2:1 v/v DCM:hexanes afforded the title compound (10.7 g, 86percent yield) as a white crystalline solid. MS m/z 189.36 [M+1].Step B - Synthesis of 5, 7-dichloropyrazolo[ l, 5-a]pyrimidine (lnt-9b)lnt-9a Int-ψbTo pyrazolo[l, 5-aJpyrimidine-5, 7-diol (Int-9a, 9.6 g, 63.5 mmol) in a 500 mL flask was added POClTo pyrazolo[l, 5-a]pyrimidine-5, 7-diol (9.6 g, 63.5 mmol) in a 500 mL flask was added POCl
Computed Properties
Molecular Weight:188.01
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:186.9704025
Monoisotopic Mass:186.9704025
Topological Polar Surface Area:30.2
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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