2-Methoxypyridine-3-boronic acid
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2-Methoxypyridine-3-boronic acid
structure -
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CAS No:
163105-90-6
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Formula:
C6H10BNO4
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Chemical Name:
2-Methoxypyridine-3-boronic acid
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Synonyms:
2-Methoxypyridine-3-boronic acid ,98%;Methoxypyridinylboronicacid;2-Methoxypyridine-3;2-Methoxypyridine-3-boronic Acid (contains varying aMounts of Anhydride);3-Borono-2-methoxypyridine;Methoxy-3-pyridineboronic;2-Methoxypyridin-3-yl-3-boronic acid;2-METHOXY-3-PYRIDINYL BORONIC ACID
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CAS No:
Characteristics
62.6
-1.23000
White Crystalline Powder
1.24±0.1 g/cm3(Predicted)
136-138°C
326.4±52.0 °C(Predicted)
151.2±30.7 °C
1.524
2-8°C
8.78E-05mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36
Xi
|Warning|H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Methoxypyridine-3-boronic acid Use and Manufacturing
A mixture of 2-methoxypyridine (23.2 g) and DIISOPROPYLAMINE (1.35 mL) in THF (223 mL) was added to (trimethylsilylmethyl) lithium (218 mL, 13.8 weight percent in hexanes) AT-20 °C. The lithiation was 84percent complete after 7 hours. Tri-isopropylborate (40.8 g) was added at-20 °C over 40 minutes. The mixture was stirred overnight at ambient temperature. 5 percent NAOH (aq, 225 mL) was added. The aqueous layer was removed and brought to pH 5 by adding 10percent HC1 (aq). The resulting white precipitate was isolated by filtration. After drying, 22.23 g of 2-methoxypyridine-3-boronic acid was obtained (68percent yield).
Computed Properties
Molecular Weight:152.95
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:153.0597233
Monoisotopic Mass:153.0597233
Topological Polar Surface Area:62.6
Heavy Atom Count:11
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Methoxypyridine-3-boronic acid
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