4-Methoxybenzenebutanoic acid
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4-Methoxybenzenebutanoic acid
structure -
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CAS No:
4521-28-2
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Formula:
C11H14O3
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Chemical Name:
4-Methoxybenzenebutanoic acid
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Synonyms:
Benzenebutanoic acid,4-methoxy-;Butyric acid,4-(p-methoxyphenyl)-;Butyric acid,γ-(p-methoxyphenyl)-;4-Methoxybenzenebutanoic acid;4-(p-Methoxyphenyl)butyric acid;4-(4-Methoxyphenyl)butyric acid;4-(4-Methoxyphenyl)butanoic acid;NSC 407553
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CAS No:
4-Methoxybenzenebutanoic acid Basic Attributes
194.23
194.23
224-849-3
407553
DTXSID80196435
2918990090
Characteristics
46.5
2.3
Cream to slightly yellow Powder
1.1±0.1 g/cm3
56-59 °C
205-206 °C @ Press: 13 Torr
129.3±14.4 °C
1.525
Slightly soluble in methanol. Insoluble in chloroform.
Safety Information
NONH for all modes of transport
3
22-24/25
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Methoxybenzenebutanoic acid Use and Manufacturing
Step G A 500 mL round bottom flask equipped with a magnetic stirrer bar and an inert atmosphere (nitrogen gas) was charged with 5.25 mL (48.3 mmol) of anisole, 4.83 g (48.3 mmol) of succinic anhydride, 125 mL 1, 1, 2, 2-tetrachloroethane and 125 mL of nitrobenzene. The reaction vessel was cooled with an external ice bath and stirred for 30 minutes. Aluminum trichloride (14.2 g, 106.4 mmol) was added to the pale yellow solution, which then turned to a dark reddish brown color. The ice bath was removed, and the reaction was allowed to stir at room temperature for 36 hours. Reaction was again cooled with an external ice bath. Prepared acidic solution by pouring IN hydrogen chloride solution into a 100 mL beaker filled with ice. This solution was added to the reaction mixture carefully, drop-wise at first until reaction became clear with white precipitate. After that point a 10 mL portion was carefully added to test for reactivity, and then the remained of the ice/acid mixture was added. A second 100 mL of ice/acid mixture was added, the external ice bath removed and the pale emulsion was stirred for 2 hours. A white precipitate was collected form the emulsion by suction filtration. This solid was dissolved in 300 mL of 0.3 M sodium hydroxide, washed with 10OmL of ethyl General procedure: To a screw-capped tube were successively added InCl3 (5.5 mg, 0.025 mmol), o-dichlorobenzene (0.5 mL), the appropriate lactone (0.50 mmol), S8 (17.6 mg, 0.550 mmol) or Se (43.4 mg, 0.550 mmol), and PhSiH3 (36.1 mg, 0.333 mmol). After the tube was sealed with a cap that contained a PTFE septum, the mixture was heated for 24 h at 120 °C for thiolactones and at 120 °C for selenolactones. After the reaction, the mixture was evaporated under reduced pressure. The crude product was purified by silica gel column chromatography (hexane/EtOAc) to afford either the desired thiolactone or selenolactone derivative.
Computed Properties
Molecular Weight:194.23
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:194.094294304
Monoisotopic Mass:194.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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