5-Chloro-2-fluoropyridin-3-ylboronic acid
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5-Chloro-2-fluoropyridin-3-ylboronic acid
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CAS No:
937595-70-5
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Formula:
C5H4BClFNO2
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Chemical Name:
5-Chloro-2-fluoropyridin-3-ylboronic acid
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Synonyms:
Boronicacid,B-(5-chloro-2-fluoro-3-pyridinyl)-;5-Chloro-2-fluoropyridine-3-boronic acid;5-Chloro-2-fluoropyridine-3-boronic acid hydrate;5-Chloro-2-fluoropyridine-3-boronic Acid (contains varying amounts of Anhydride)
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CAS No:
5-Chloro-2-fluoropyridin-3-ylboronic acid Basic Attributes
175.35
175.000763
DTXSID30647886
2933399090
Safety Information
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-Chloro-2-fluoropyridin-3-ylboronic acid Use and Manufacturing
A mixture of 1-bromo-4, 5-dimethoxy-2-nitrobenzene (3.4g; 12.97 mmol; 1.00 eq.) , (5- chloro-2-fluoropyridin-3-yl)boronic acid (4.6 g; 25.95 mmol; 2.00 eq.) , Pd(dppf)2C12.DCM (529.76 mg; 0.65 mmol; 0.05 eq.), and Potassium Carbonate (4.5 g; 32.44 mmol; 2.50 eq.) inl, 4-dioxane (90 mL) was heated to 100C for 4 hours. Let the reaction cool to rt. The reaction mixture was diluted with water. The aqueous layer was extracted with ethyl acetate. The combined organics were driedwith Mg504, filtered, and concentrated under reduced pressure. The resulting residue was purified by silica gel using 0% to 50% ethyl acetate in hexanes to afford 5-chloro-3-(4, 5-dimethoxy-2- nitrophenyl)-2-fluoropyridine (3.3g; 81 %) . MS (ESI, pos. ion) mlz: 313.0 (M+1).
Computed Properties
Molecular Weight:175.35
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:175.0007644
Monoisotopic Mass:175.0007644
Topological Polar Surface Area:53.4
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5 YRS
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5-Chloro-2-fluoropyridin-3-ylboronic acid
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