4-BroMo-2,6-diMethoxybenzaldehyde
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4-BroMo-2,6-diMethoxybenzaldehyde
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CAS No:
1354050-38-6
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Formula:
C9H9BrO3
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Chemical Name:
4-BroMo-2,6-diMethoxybenzaldehyde
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Synonyms:
4-Bromo-2,6-dimethoxybenzaldehyde;4-Bromo-2,6-dimethoxy-benzaldehyde;ACMC-209c0j;SCHEMBL15981125;CTK8B0344;DTXSID50742726;KS-00000RK3;ANW-19841;MFCD22192498;ZINC85476826
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CAS No:
Safety Information
|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-BroMo-2,6-diMethoxybenzaldehyde Use and Manufacturing
To a stirred solution of 3-amino-1 -methyl-5-(4, 4, 5, 5-tetramethyl-1 , 3, 2-dioxaborolan-2-yl)-1 , 2- dihydropyridin-2-one (3.69 g, 14.754 mmol, 1 equiv) in 1 , 4-dioxane (80 ml_) and H2O (8 ml_) was added 4- bromo-2, 6-dimethoxybenzaldehyde (3.25 g, 13.278 mmol, 0.90 equiv), Pd(dppf)Cl2*CH2Cl2 (1 .20 g, 1 .475 mmol, 0.1 equiv), and CS2CO3 (14.42 g, 44.261 mmol, 3 equiv). The solution was stirred for 1 hour at 90 degrees C under N2 atmosphere. Then the mixture was diluted with water and extracted with EtOAc, and the combined organic layer was concentrated. The residue was purified by silica gel chromatography eluting with PE/EtOAc (1 :3) to afford 4-(5-amino-1 -methyl-6-oxo-1 , 6-dihydropyridin-3-yl)-2, 6- dimethoxybenzaldehyde (3.0 g, 70.53%) as a brown solid. LCMS (ESI) m/z: [M+H]+ = 289.
Computed Properties
Molecular Weight:245.07
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:243.97351
Monoisotopic Mass:243.97351
Topological Polar Surface Area:35.5
Heavy Atom Count:13
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4-BroMo-2,6-diMethoxybenzaldehyde
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