3-Fluoro-4-methoxybenzaldehyde
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3-Fluoro-4-methoxybenzaldehyde
structure -
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CAS No:
351-54-2
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Formula:
C8H7FO2
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Chemical Name:
3-Fluoro-4-methoxybenzaldehyde
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Synonyms:
Benzaldehyde,3-fluoro-4-methoxy-;p-Anisaldehyde,3-fluoro-;3-Fluoro-4-methoxybenzaldehyde;3-Fluoro-p-anisaldehyde;4-Methoxy-3-fluorobenzaldehyde
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CAS No:
Characteristics
26.3
1.4
white to light yellow low melting crystalline mass
1.2±0.1 g/cm3
31 °C
247.1°C at 760 mmHg
100.3±16.7 °C
1.526
Safety Information
NONH for all modes of transport
3
R22;R36/37/38
S37/39-S26
Xn:Harmful;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P271, P273, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 11 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Fluoro-4-methoxybenzaldehyde Use and Manufacturing
General procedure: A solution of diphenylmethanol (1 mmol), NBS (1.3equiv.), KOAc (1.5 equiv.) H2O (1.5 mL), and CH2Cl2 (0.5mL) was magnetically stirred in 25 mL flask at room temperaturefor 10 h. The reaction mixture was added into water(10 mL), and extracted with EtOAc (3 × 10 mL). The combinedEtOAc extracts were dried over anhydrous MgSO4, filtrated, and then the solvent was removed under reducedpressure. The residue was purified by the flash columnchromatography on silica gel with PE or PE/EtOAc as theeluent to obtain the desired products. The oxidation productswere identified by GC-MS and 1H NMR.General procedure: A solution of benzyl alcohol (1 mmol), SCC (1 mol percent), 70percent TBHP (1 mmol or 3 mmol), and 4-methylpyridine (1.0 mmol) in H2O (2 mL) was stirred at 60 °C (or 80 °C) for 10 h (or 15 h).The reaction mixture was quenched with a saturated solution of sodium thiosulfate (5 mL) andextracted using dichloromethane (3 10 mL). The combined organic layers were dried over anhydrous Na2SO4, filtrated, and then the solvent was removed under reduced pressure. The residue was purified by flash column chromatography on silica gel with petroleum ether/ethyl acetate as the eluent to obtain the desired product.
Computed Properties
Molecular Weight:154.14
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:154.04300762
Monoisotopic Mass:154.04300762
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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