ChemicalBook > CAS DataBase List > Ethyl 2-phenylacetoacetate

Ethyl 2-phenylacetoacetate

Product Name
Ethyl 2-phenylacetoacetate
CAS No.
5413-05-8
Chemical Name
Ethyl 2-phenylacetoacetate
Synonyms
ETHYL 3-OXO-2-PHENYLBUTANOATE;2-Phenylacetoacetic acid ethyl ester;2-Phenylacetoacetate;ethyl 2-phenyl-3-oxobutanoate;Benzeneacetic acid, a-acetyl-, ethyl ester;a-acetyl-;99% Pure BMK;Bmk powder/oil;Ethyl 2-phenylacetoa;BMK Glycidate BMK Powder
CBNumber
CB4772521
Molecular Formula
C12H14O3
Formula Weight
206.24
MOL File
5413-05-8.mol
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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
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Safety

Safety Statements 
24/25
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Usbiological
Product number
E8609-67
Product name
Ethyl 2-Phenylacetoacetate
Packaging
5g
Price
$389
Updated
2021/12/16
AK Scientific
Product number
6701CA
Product name
Ethyl3-oxo-2-phenylbutanoate
Packaging
5g
Price
$417
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
COR0003957
Product name
ETHYL 2-PHENYLACETOACETATE
Purity
95.00%
Packaging
1G
Price
$1030.84
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
COR0003957
Product name
ETHYL 2-PHENYLACETOACETATE
Purity
95.00%
Packaging
5G
Price
$4244.63
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
COR0003957
Product name
ETHYL 2-PHENYLACETOACETATE
Purity
95.00%
Packaging
10G
Price
$7882.88
Updated
2021/12/16
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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

Raw materials

Preparation Products

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Ethyl 2-phenylacetoacetate Suppliers

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View Lastest Price from Ethyl 2-phenylacetoacetate manufacturers

Dorne Chemical Technology co. LTD
Product
Ethyl 2-Phenylacetoacetate 5413-05-8
Price
US $10.00-10.00/ASSAYS
Min. Order
1ASSAYS
Purity
99%
Supply Ability
10 tons
Release date
2024-03-26
Dorne Chemical Technology co. LTD
Product
Ethyl 2-phenylacetoacetate 5413-05-8
Price
US $10.00-10.00/ASSAYS
Min. Order
1ASSAYS
Purity
99%
Supply Ability
10 tons
Release date
2024-03-26
Hebei Dangtong Import and export Co LTD
Product
Ethyl 2-phenylacetoacetate 5413-05-8
Price
US $39244.00-38700.00/Tons
Min. Order
1Tons
Purity
99.99%
Supply Ability
200Tons
Release date
2023-04-11

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

Ethyl 2-phenylacetoacetate 2-(2-FLUOROBENZYL)ACETOACETIC ACID ETHYL ESTER Ethyl acetoacetate ETHYL 2,4-DIPHENYLACETOACETATE 3-(2,3-DIMETHOXY-PHENYL)-2-(4-NITRO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 3-(3-FLUORO-PHENYL)-2-(4-NITRO-PHEN YL)-3-OXO-PROPIONIC ACID ETHYL ESTER 2-(4-NITRO-PHENYL)-3-OXO-3-M-TOLYL-PROPIONIC ACID ETHYL ESTER 3-(2-METHOXY-PHENYL)-2-(4-NITRO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 2-(4-NITRO-PHENYL)-3-OXO-3-(2,4,5-TRIMETHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER 2-(4-NITRO-PHENYL)-3-OXO-3-PHENYL-PROPIONIC ACID ETHYL ESTER 3-(4-DIMETHYLAMINO-PHENYL)-2-(4-NITRO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 3-(3,5-DIMETHOXY-PHENYL)-2-(4-NITRO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 2-(4-NITRO-PHENYL)-3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER 2-(4-NITRO-PHENYL)-3-OXO-HEXANOIC ACID ETHYL ESTER 3-(2,4-DIMETHOXY-PHENYL)-2-(4-NITRO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 3-(4-FLUORO-PHENYL)-2-(4-NITRO-PHEN YL)-3-OXO-PROPIONIC ACID ETHYL ESTER 3-(3,4-DIMETHOXY-PHENYL)-2-(4-NITRO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 2-(4-NITRO-PHENYL)-3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER

  • 2-Phenylacetoacetic acid ethyl ester
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  • (2R)-3-oxo-2-phenylbutanoic acid ethyl ester
  • high quality 2-PHENYLACETOACETATE CAS 5413-05-8
  • Benzeneacetic acid, .alpha.-acetyl-, ethyl ester
  • 2-Phenyl-3-oxobutanoic acid ethyl ester
  • 2-Phenyl-3-oxobutyric acid ethyl ester
  • Benzeneacetic acid, a-acetyl-, ethyl ester
  • Ethyl a-acetylbenzeneacetate
  • 5413-05-8 2-Phenylacetoacetic acid ethyl ester
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  • 2-Phenylacetoacetate ethyl ester
  • 5413-05-8
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  • Aromatics Compounds
  • 5413-05-8
  • 1