| Identification | More | [Name]
Ethyl 4-aminophenylacetate | [CAS]
5438-70-0 | [Synonyms]
4-AMINOPHENYLACETIC ACID ETHYL ESTER
ETHYL 2-(4-AMINOPHENYL)ACETATE
ETHYL 4-AMINOPHENYLACETATE
H-APH(4)-OET
LABOTEST-BB LT01148116
TIMTEC-BB SBB005813
P-Aminophenyl Acetic Acid Ethyl Ester
Ethyl 4-aminophenylacetate, 98 %
4-Aminobenzeneacetic acid ethyl ester | [EINECS(EC#)]
202-303-5 | [Molecular Formula]
C10H13NO2 | [MDL Number]
MFCD00017569 | [Molecular Weight]
179.22 | [MOL File]
5438-70-0.mol |
| Chemical Properties | Back Directory | [Appearance]
pinkish-white to beige powder | [Melting point ]
48-50 °C | [Boiling point ]
120-122 °C(Press: 2 Torr) | [density ]
1.112±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
4.55±0.10(Predicted) | [color ]
White to Orange to Green | [Detection Methods]
HPLC,NMR | [InChI]
InChI=1S/C10H13NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3 | [InChIKey]
CFNDVXUTYPXOPG-UHFFFAOYSA-N | [SMILES]
C1(CC(OCC)=O)=CC=C(N)C=C1 | [CAS DataBase Reference]
5438-70-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [Hazard Note ]
Irritant | [HS Code ]
29163400 |
| Hazard Information | Back Directory | [Chemical Properties]
pinkish-white to beige powder | [Uses]
Used as an intermediate in pharmaceutical research. | [Synthesis]
A solution of (4-nitro-phenyl)-acetic acid ethyl ester (Preparation 266, 3.4 g, 16.1 mmol) in methanol (100 mL) was degassed with argon for 15 min, treated with 10% palladium on charcoal (700 mg), and then stirred at room temperature under hydrogen (balloon pressure) for 16 hours. The reaction mixture was filtered through celite, washed with methanol (2 × 20 mL) and the filtrate Ethyl 4-aminophenylacetate was evaporated in vacuo. Yield: 96%, 2.8 g, oil. 1H NMR (400 MHz, CDCl3) δ: 1.23 (t, 3H), 3.47 (s, 2H), 3.60 (br s, 2H), 4.11 (q, 2 H), 6.63 (d, 2H), 7.05 (d, 2H).
 | [References]
[1] Patent: EP3381898, 2018, A1. Location in patent: Paragraph 0200; 0272
[2] Patent: WO2015/161830, 2015, A1. Location in patent: Paragraph 00698
[3] Journal of the American Chemical Society, 2011, vol. 133, # 32, p. 12875 - 12879
[4] Chemical Communications, 2013, vol. 49, # 80, p. 9089 - 9091
[5] ChemCatChem, 2016, vol. 8, # 14, p. 2351 - 2355 |
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