Ethyl4-aminophenylacetate
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Ethyl4-aminophenylacetate
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CAS No:
5438-70-0
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Formula:
C10H13NO2
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Chemical Name:
Ethyl4-aminophenylacetate
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Synonyms:
H-APH(4)-OET;TIMTEC-BB SBB005813;LABOTEST-BB LT01148116;ETHYL 4-AMINOPHENYLACETATE;ETHYL 2-(4-AMINOPHENYL)ACETATE;Ethyl 4-aminophenylacetate, 98 %;ethyl 2-(4-aminophenyl)ethanoate;Ethyl 4-aMinophenylacetate, 98% 1GR;4-AMINOPHENYLACETIC ACID ETHYL ESTER;4-Aminobenzeneacetic acid ethyl ester
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CAS No:
Ethyl4-aminophenylacetate Basic Attributes
179.22
179.094635
5H8CFU7GNP
14373
DTXSID30202752
2922499990
Safety Information
S24/25
Xi: Irritant;
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl4-aminophenylacetate Use and Manufacturing
A solution of ethyl 2-(4-nitrophenyl)acetate (3j) (1.05 g, 3.40 mmol) inMeOH (25 mL) was hydrogenated over 10percent Pd/C (catalytic amount) for 4h. The catalyst was filtered off and the resultingsolution was concentrated to afford ethyl 2-(4-aminophenyl)acetate (4j). 1H-NMR 200 MHz (CDCl3) δ: 1.29 (t, 3H, J=7.2Hz ), 3.72 (s, 2H), 4.13 (q, 2H, J=7.2 Hz), 6.51 (d, 2H, J= 7.2 Hz), 6.98 (d, 2H, J= 7.2 Hz). Quantitative yieldStep 1: Ethyl 2- (4-aminophenyl) acetate[1974]To a solution of ethyl 4-nitrophenylacetate (500 mg, 2.39 mmol) in methanol (10 mL) was added Pd/C (64 mg) . The mixture was stirred at rt for 1.5 hours under hydrogen atomosphere. The mixture was filtered and the filtrate was concentrated to give ethyl 2- (4-aminophenyl) acetate as reddish liquid (420 mg, 97) .[1975]
Computed Properties
Molecular Weight:179.22
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:179.094628657
Monoisotopic Mass:179.094628657
Topological Polar Surface Area:52.3
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes