6-(Trifluoromethyl)-3-pyridinol
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6-(Trifluoromethyl)-3-pyridinol
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CAS No:
216766-12-0
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Formula:
C6H4F3NO
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Chemical Name:
6-(Trifluoromethyl)-3-pyridinol
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Synonyms:
3-Pyridinol,6-(trifluoromethyl)-;6-(Trifluoromethyl)-3-pyridinol;5-Hydroxy-2-trifluoromethylpyridine;6-Trifluoromethyl-3-hydroxypyridine
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CAS No:
6-(Trifluoromethyl)-3-pyridinol Basic Attributes
163.1
163.10
1312995-182-4
DTXSID30382629
2933399090
Safety Information
IRRITANT
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-(Trifluoromethyl)-3-pyridinol Use and Manufacturing
Step 1: tert-butyl (cis-3-(((6-(trifluoromethyl)pyridin-3-yl)oxy)methyl)-cyclobutyl)carbamate Diethyl azodicarboxylate (13 mL of 40% w/w, 28 mmol) was added dropwise to a solution of tert-butyl (cis-3-(hydroxymethyl)-cyclobutyl)carbamate (4.699 g, 23.35 mmol), General procedure: A mixture of (75)-2-((cis-3-(hydroxymethyl)cy- clobutyl)amino)-7-isopropyl-4, 8-dimethyl-7, 8-dihydropte- ridin-6(5H)-one (1 equiv), triphenyl phosphine (2.1 equiv), and the heterocycle (hydroxy heterocycle, pyrazole, or imidazole derivative; 1.6 equiv) was taken into THF (25 vol equiv). Diethylazodicarboxylate (2.1 equiv) was added to the mixture dropwise at room temperature then heated to 50 C. for 2 hours. The crude products were purified by preparative reverse phase HPLC (C18 colunm) eluting with 10-95% acetonitrile/water (0.5 mMHC1) to provide theproducts described in Table 26.Step 1: tert-Butyl ((trans-4-(((6-(trifluoromethyl)pyridin-3-yl)oxy)methyl)cyclohexyl)methyl)carbamate Diisopropyl azodicarboxylate (500 uL, 2.59 mmol) was added dropwise to a solution of tert-butyl ((trans-4-(hydroxymethyl)cyclohexyl)methyl)carbamate (525 mg, 2.16 mmol),
Computed Properties
Molecular Weight:163.10
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:163.02449824
Monoisotopic Mass:163.02449824
Topological Polar Surface Area:33.1
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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