4-Amino-3-ethylbenzoic acid
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4-Amino-3-ethylbenzoic acid
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CAS No:
51688-75-6
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Formula:
C9H11NO2
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Chemical Name:
4-Amino-3-ethylbenzoic acid
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CAS No:
Characteristics
63.3
1.6
1.2±0.1 g/cm3
152-154 °C(Solv: water (7732-18-5); ethanol (64-17-5))
348.3ºC at 760 mmHg
164.5±25.9 °C
1.601
4-Amino-3-ethylbenzoic acid Use and Manufacturing
Preparation of 4-amino-3-ethylbenzoic AcidA suspension of 4-cyano-2-ethylacetanilide (10.1 g, 53.66 mmol) in 20percent aqueous sodium hydroxide (38 mL, 188 mmol) was stirred at reflux, under nitrogen atmosphere for 22 hours. The dark solution was cooled to room temperature, diluted with water (200 mL) and washed with ethyl acetate (2.x.50 mL). The aqueous phase was acidified with concentrated hydrochloric acid to pH 5 and extracted with ethyl acetate (2.x.100 mL). After further acidifying to pH 4 the aqueous phase was further extracted with ethyl acetate (2.x.50 mL) and the combined extracts was washed with brine (50 mL), dried (magnesium sulfate) and evaporated in vacuo. The residual solid was triturated with petroleum ether, removed by filtration, washed with petroleum ether and dried in vacuo. The beige solid (7.49 g, 84.5percent) was 4-amino-3-ethylbenzoic acid of good purity.
Computed Properties
Molecular Weight:165.19
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:165.078978594
Monoisotopic Mass:165.078978594
Topological Polar Surface Area:63.3
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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