2-(dimethoxymethyl)pyridine-5-boronic acid pinacol ester
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2-(dimethoxymethyl)pyridine-5-boronic acid pinacol ester
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CAS No:
1150632-93-1
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Formula:
C14H24BNO5
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Chemical Name:
2-(dimethoxymethyl)pyridine-5-boronic acid pinacol ester
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Synonyms:
2-(Dimethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(dimethoxymethyl)pyridine-5-boronic acid pinacol ester;MFCD16038216;AKOS025146894;ZINC215770300;DS-8411;2-Dimethoxymethyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine;Pyridine, 2-(dimethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;AK164101;6-(Dimethoxymethyl)pyridine-3-boronic acid pinacol ester
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CAS No:
Safety Information
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2-(dimethoxymethyl)pyridine-5-boronic acid pinacol ester Use and Manufacturing
Pd(dppf)Cl2 (630.73mg, 862.00mmol) was added to a solution of Example 24B (2g, 8.62mmol), bispinacolatoboronate(2.85g, 11.21mmol), potassium acetate (2.54g, 25.86mmol) in dioxane (10mL) under nitrogen atmosphere, followed by reacting at 110°C for 2 hours. When LC-MS showed the completion of the reaction, the reaction solutionwas cooled to room temperature, filtered, concentrated in vacuo and the residue was purified by flash silica gel columnchromatography to give the title compound as a black oil (2g, yield 83.12percent). 1H NMR (400MHz, CHLOROFORM-d) ppm8.94 (s, 1H), 8.11 (dd, J=1.4, 7.7 Hz, 1H), 7.54 (d, J=7.8 Hz, 1H), 5.40 (s, 1H), 3.39 (s, 6H), 1.35 (s, 12H).
Computed Properties
Molecular Weight:279.14
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:279.1641883
Monoisotopic Mass:279.1641883
Topological Polar Surface Area:49.8
Heavy Atom Count:20
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(dimethoxymethyl)pyridine-5-boronic acid pinacol ester
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