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Ethyl 2-phenylacetoacetate

Ethyl 2-phenylacetoacetate Property

Melting point 140-144°C/10mm
Boiling point 140-144°C 10mm
Density 1,085 g/cm³
refractive index 1.5130
Flash point 140-144°C/10mm
solubility Chloroform (Slightly), Methanol (Slightly)
form Oil
pka 10.69±0.46(Predicted)
color Colourless to Pale Brown
BRN 1912655
InChI InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChIKey PWRUKIPYVGHRFL-UHFFFAOYSA-N
SMILES C(C(=O)C)(C(=O)OCC)C1C=CC=CC=1

Safety

NFPA 704:

Hazard and Precautionary Statements (GHS)

Ethyl 2-phenylacetoacetate Chemical Properties,Usage,Production

Uses Ethyl 2-Phenylacetoacetate is used in preparation of iridium polysubstituted quinoline diketonate complex and application as OLED.
Synthesis A flame-dried flask was charged with 10 mmol (1 equiv) of sublimed potassium tert-butoxide in anhydrous DMF (50 mL) at room temperature under argon. Then, 10 mmol (1 equiv) of freshly distilled EAA was added to the reaction mixture and stirred for 30 min at 0 °C, followed by dropwise addition of diaryliodonium salt (4 mmol, 0.4 equiv to EAA) in 10 mL of DMF. Reaction was left stirring at room temperature for the time mentioned in the table. After confirming complete consumption of iodonium salt (by LCMS), to the reaction mixture was added 1 M HCl in one portion to bring the pH to around 5.0. The crude was extracted with diethyl ether until the aqueous layer was devoid of product. The organic layer was dried over sodium sulfate, and solvent was removed in vacuo. The product was purified by flash column chromatography (0.5-2% of hexane in ethyl acetate). Ethyl 2-phenylacetoacetate 1H NMR (500 MHz, CDCl3) δ 13.13 (s, 0.3H), 7.41-7.27 (m, 4H), 7.18-7.13 (m, 1H), 4.69 (s, 0.7H), 4.27-4.15 (m, 2H), 2.19 (s, 2H), 1.86 (s, 1H), 1.28 (t, J = 7.1 Hz, 2H), 1.18 (t, J = 7.1 Hz, 1H). 13C NMR (126 MHz, CDCl3) δ 201.7, 174.0, 172.7, 168.6, 135.4, 132.8, 131.4, 129.4, 129.0, 128.4, 128.1, 127.0, 104.5, 65.9, 61.8, 60.8, 28.9, 20.0, 14.3, 14.2. HRMS (ESI-TOF) m/z: [M + H]+ calcd for C12H14O3 207.1016; found 207.1018.

Ethyl 2-phenylacetoacetate Preparation Products And Raw materials

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Ethyl 2-phenylacetoacetate Spectrum

5413-05-8, Ethyl 2-phenylacetoacetateRelated Search:

1
5413-05-8
Aromatics Compounds
BMK 粉末液体
有机原料
原料药
原料
医药体
2-苯基乙酰乙酸乙酯
精细化工原料
化工原料
基础化学品-无机化学品
羧酸类衍生物
果蔬粉
有机中间体
医药原料
API原料药
其他中间体
中间体，原料，表面活性剂
中间体
无机盐
其他-化学试剂
医药中间体
5143-05-8
苯基乙酰乙酸乙酯
2-苯基乙酰乙酸乙酯 2-苯基乙酰乙酸乙酯
二苯基乙酰乙酸乙酯
3-氧代-2-苯基丁酸乙酯
2-苯基乙酰乙酸乙酯 POWDER
2-苯基乙酰乙酸乙酯/BMK
2-苯基乙酰乙酸乙酯
2-苯基乙酰乙酸乙酯,97%
5413-05-8
2-Phenylacetoacetate ethyl ester
BMK Ethyl 3-oxo-4-phenylbutanoate
Ethyl 2-phenylacetoacetatee
bmk powder/Ethyl 2-phenylacetoacetate
Ethyl 2-Phenylacetoacetate(BMK Oil)
2-Phenylacetoacetate
ethyl 2-phenyl-3-oxobutanoate
Benzeneacetic acid, a-acetyl-, ethyl ester
ETHYL 3-OXO-2-PHENYLBUTANOATE
2-Phenylacetoacetic acid ethyl ester
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ETHYL 2-PHENYLACETOACETAT
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