Identification | More | [Name]
3-(4-Carboethoxy)phenyl propanal | [CAS]
151864-81-2 | [Synonyms]
3-(4-CARBOETHOXY)PHENYL PROPANAL 3-(4'-CARBOXYPHENYL)-PROPIONALDEHYDE ETHYL ESTER 4-(3-CARBETHOXY)PHENYLPROPANAL 4-(3-OXO-PROPYL)-BENZOIC ACID ETHYL ESTER 4-CARBOETHOXYPHENYL BUTANAL 4-CARBOETHOXYPHENYL PROPANAL 4-ETHOXYCARBONYLHYDROCINNAMAL 3-(4-Carbethoxy)Phenylpropanal Benzoic acid, 4-(3-oxopropyl)-, ethyl ester (9CI) | [Molecular Formula]
C12H14O3 | [MDL Number]
MFCD01631196 | [Molecular Weight]
206.24 | [MOL File]
151864-81-2.mol |
Hazard Information | Back Directory | [Synthesis]
Ethyl 4-iodobenzoate (200 g, 0.725 mol) and acryl alcohol (63 g, 1.087 mol) were added with stirring to a DMF (600) containing sodium bicarbonate (152 g, 1.812 mol), tetrabutylammonium bromide (117 g, 0.362 mol) and palladium(II) acetate (3.2 g, 0.014 mol) in a 600 mL) in suspension. The reaction mixture was heated to 75-80 °C and kept at this temperature for 3-3.5 h. The reaction was subsequently cooled to 40-50 °C. Under vigorous stirring, toluene (1 L) was added to the reaction mixture and stirring was continued for 15 minutes. The mixture was filtered through a diatomaceous earth pad and the diatomaceous earth pad was washed with toluene (2 x 200 mL). The filtrate and washings were combined, washed with water (3 x 1 L) and then evaporated to constant weight at 30-40 °C and 10 mmHg. 147.5 g (98.8% yield, 84% HPLC purity) of ethyl 4-(3-oxopropyl)benzoate crude product was obtained as a dark brown oil, which could be used in the next step without further purification.1H NMR (DMSO-d6): δ 1.38 (t, 3H), 2.81 (t, 2H), 3.03 (t, 2H), 4.39 (q, 2H) , 7.27 (d, 2H), 7.98 (d, 2H), 9.81 (s, 1H). | [References]
[1] Tetrahedron Letters, 1999, vol. 40, # 21, p. 4023 - 4026 [2] Patent: US2005/49296, 2005, A1. Location in patent: Page/Page column 7-8 [3] Organic Letters, 2009, vol. 11, # 22, p. 5342 - 5345 [4] Journal of Heterocyclic Chemistry, 2004, vol. 41, # 6, p. 941 - 946 [5] Patent: WO2006/63863, 2006, A1. Location in patent: Page/Page column 43-44; 1/2 |
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