| Identification | More | [Name]
Isopropyl 3-aminocrotonate | [CAS]
14205-46-0 | [Synonyms]
3-AMINO-BUT-2-ENOIC ACID ISOPROPYL ESTER
3-Aminocrotonic acid isopropyl ester
ISOPROPYL 3-AMINOCROTONATE
1-methylethyl3-amino-2-butenoate
1-methylethyl3-aminocrotonate
3-amino-2-butenoicaci1-methylethylester
3-amino-crotonicaciisopropylester
Isopropyl3-amino-2-butenoate
isopropylbeta-aminocrotonate
3-Aminobutenoic acid isopropylester
BETA-AMINOCROTONIC ACID ISOPROPYL ESTER
ISOPROPYL 3-AMINOCROTONATE(3-AMINOCROTONIC ACID ISOPROPYL ESTER)
Isopropy1-3-aminocrotomate
3-amino-2-butenoic acid 1-methylethyl ester
Isopropyl aminocrotonate | [EINECS(EC#)]
604-269-0 | [Molecular Formula]
C7H13NO2 | [MDL Number]
MFCD00134272 | [Molecular Weight]
143.18 | [MOL File]
14205-46-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Colourless Liquid | [Melting point ]
19-23°C | [Boiling point ]
80°C/1mmHg(lit.) | [density ]
0.987±0.06 g/cm3(Predicted) | [refractive index ]
1.4870 to 1.4910 | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
Chloroform, Ethyl Acetate, Methanol | [form ]
Colourless Liquid | [pka]
5.36±0.70(Predicted) | [color ]
Colorless to Light yellow | [InChI]
InChI=1S/C7H13NO2/c1-5(2)10-7(9)4-6(3)8/h4-5H,8H2,1-3H3 | [InChIKey]
YCKAGGHNUHZKCL-UHFFFAOYSA-N | [SMILES]
C(OC(C)C)(=O)C=C(N)C | [CAS DataBase Reference]
14205-46-0(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Hazard]
Moderately toxic by ingestion. Low toxicity by inhalation. A mild skin and eye irritant. | [Chemical Properties]
Colourless Liquid | [Uses]
Isopropyl 3-Aminocrotonate (cas# 14205-46-0) is a compound useful in organic synthesis. | [Synthesis]
The general procedure for the synthesis of isopropyl 3-amino-2-butenoate from isopropyl acetoacetate was as follows: 2.0 g (~20.83 mmol) of isopropyl acetoacetate was accurately weighed and dissolved in 15 mL of anhydrous ethanol. Subsequently, 1.6 g of ammonium acetate was added and the reaction mixture was heated to reflux at 90°C in an oil bath. The reaction progress was monitored by thin layer chromatography (TLC). After 24 hours of reaction, the heating was stopped and the reaction mixture was evaporated to dryness at low temperature. Finally, the reaction solution was distilled under reduced pressure to afford the target compound isopropyl 3-amino-2-butenoate (compound Sf) in 100% yield. | [References]
[1] Patent: CN102464608, 2016, B. Location in patent: Paragraph 0153; 0154
[2] Patent: CN108101798, 2018, A. Location in patent: Paragraph 0022; 0024; 0026; 0028; 0030-0032; 0034; 0036
[3] Patent: CN105461691, 2016, A. Location in patent: Paragraph 0016
[4] Chemical and Pharmaceutical Bulletin, 1979, vol. 27, # 6, p. 1426 - 1440
[5] Chemical and Pharmaceutical Bulletin, 1989, vol. 37, # 8, p. 2117 - 2121 |
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