3-BROMO-4-METHOXY-PYRIDINE
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3-BROMO-4-METHOXY-PYRIDINE
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CAS No:
82257-09-8
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Formula:
C6H6BrNO
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Chemical Name:
3-BROMO-4-METHOXY-PYRIDINE
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Synonyms:
3-bromo-4-methoxypyridine;3-Bromo-4-methoxy-pyridine;pyridine, 3-bromo-4-methoxy-;MFCD05664024;Pyridine,3-bromo-4-methoxy-;PubChem6686;ACMC-209po0;SCHEMBL5700159;CTK5E9533;DTXSID10349078
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CAS No:
Characteristics
22.1
1.5
Pale yellow Liquid
1.5±0.1 g/cm3
214.5°C at 760 mmHg
83.5±21.8 °C
1.543
Slightly soluble in water (9.8 g/L).
Safety Information
22-37/38-41
26-39
Xn
|Warning|H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-BROMO-4-METHOXY-PYRIDINE Use and Manufacturing
A mixture of Compound 4 (150 mg, 414.11 mumol, 1 eq), To a sealed tube was added (±)-[8-chloro-3-[[cis-2-fluorocyclopropanecarbonyl]amino]-6-isoquinolyl]boronic acid (200 mg, 0.57 mmol), To a sealed tube was added To a 5 mL microwave vial (Biotage) was added 3-bro o-4- ethoxypyridine (173 mg, 0.918 mmol), (5-(((tert-butoxycarbonyl)amino)methyl)thiophen-2-yl)boronic acid (235 mg, 0.916 mmol) and bis(triphenylphosphine)palladium(ll) dichloride (35.0 mg, 0.0499 mmol). The vial was purged with argon for 5 minutes followed by adding the degassed solvent of (0398) DME/H20/EtOH (7:3:2, v:v:v, 2.0 mL) and degassed 2 M Na2CC>3 (0.7 mL). The vial was capped and placed in a Biotage Initiator-·- microwave and heated to 140 C for 5 minutes on normal absorption. The contents of the flask were cooled to rt, transferred to a separatory funnel, diluted with EtOAc (30 ml_), washed with water (15 ml_), followed by saturated NaCI (15 ml_), dried over Na2S04, gravity filtered, the solvent was removed in vacuo and the residue was chromatographed on silica gel (EtOAc/Hex, 5:95, v/v to EtOAc/Hex, 50:50, v/v, TLC: (0399) EtOAc/Hex, 50:50, v/v, Rf = 0.32) to afford AA-Boc (244 mg, 83% yield) as a light yellow syrup: 1 H NMR (500 MHz, CDCh) d 8.67 (s, 1 H), 8.37 (d, J = 5.7 Hz, 1 H), 7.32 (d, J = 3.7 Hz, 1 H), 6.93 (m, 1 H), 6.86 (d, J = 5.7 Hz, 1 H), 5.32 (bs, 1 H), 4.49 (m, 2 H), 3.94 (s, 3 H), 1.47 (s, 9 H).
Computed Properties
Molecular Weight:188.02
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:186.96328
Monoisotopic Mass:186.96328
Topological Polar Surface Area:22.1
Heavy Atom Count:9
Complexity:89.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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