6-Trifluoromethylpyrimidin-4-ylamine
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6-Trifluoromethylpyrimidin-4-ylamine
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CAS No:
672-41-3
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Formula:
C5H4F3N3
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Chemical Name:
6-Trifluoromethylpyrimidin-4-ylamine
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Synonyms:
6-(Trifluoromethyl)pyrimidin-4-amine;6-Trifluoromethyl pyrimidin-4-ylamine;4-Amino-6-(trifluoromethyl)pyrimidine;6-(Trifluoromethyl)pyrimidin-4-amine, 4-Amino-6-(trifluoromethyl)-1,3-diazine
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CAS No:
6-Trifluoromethylpyrimidin-4-ylamine Basic Attributes
163.1005696
163.035736
DTXSID30625326
2933599090
6-Trifluoromethylpyrimidin-4-ylamine Use and Manufacturing
Method 30 Add 6-(trifluoromethyl)pyrimidin-4-ol (1.5 g, 9.15 mmol) and oxalyl chloride (2.3 mL, 22.9 mmol) to EtOAc (15 mL), then add 5 drops of DMF. Preparation of 6-Trifluoromethyl-pyrimidin-4-ylamine; The procedure was derived from methods described in US 5, 756, 275 and WO 02/38569. In a 250 mL round bottom flask, 6-trifluorornethyl-4-pyrimidinol (10 g, 60.9 mmol) was dissolved in 70 mL phosphorus oxychloride (0.73 mol). The solution was heated at reflux for 7 h. The cooled reaction solution was then added gradually to 200 mL 30percent ammonium hydroxide, and the resulting mixture was stirred overnight at room temperature. The reaction mixture was extracted with ethyl acetate (2 x 100 mL), and the combined extracts were dried (MgSOAdd 6-(trifluoromethyl)pyrimidin-4-ol (1.5 g, 9.15 mmol) and oxalyl chloride (2.3 mL, 22.9 mmol) to EtOAc (15 mL), then add 5 drops of DMF. Heat the mixture to reflux for 2 hrs. After reaction, partition between EtOAc and brine, separate the organic layer; dry the organic layer over anhydrous Na
Computed Properties
Molecular Weight:163.10
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Exact Mass:163.03573163
Monoisotopic Mass:163.03573163
Topological Polar Surface Area:51.8
Heavy Atom Count:11
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-Trifluoromethylpyrimidin-4-ylamine
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