Ethyl 3-oxo-3-phenylpropanoate

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Names

[ CAS No. ]:
94-02-0

[ Name ]:
Ethyl 3-oxo-3-phenylpropanoate

[Synonym ]:
Ethyl benzoylacetate
ethyl 3-oxo-3-phenylpropionate
benzoylacetic ethyl ester
benzenepropanoic acid, b-oxo-, ethyl ester
phenylformyl acetic acid ethyl ester
ethyl 3-phenyl-3-oxopropionate
MFCD00009196
Benzenepropanoic acid, β-oxo-, ethyl ester
Ethyl benzovlacetate
ethyl2-benzoylacetate
EINECS 202-295-3
3-phenyl-3-oxopropanoate
Ethyl 3-oxo-3-phenylpropanoate
Ethylbenzoylacetat
benzoyl acetic acid ethyl ester
Ethylbeonzoyl acetate
FEMA 2423

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
268.1±13.0 °C at 760 mmHg

[ Melting Point ]:
< 0ºC

[ Molecular Formula ]:
C₁₁H₁₂O₃

[ Molecular Weight ]:
192.211

[ Flash Point ]:
113.1±19.9 °C

[ Exact Mass ]:
192.078644

[ PSA ]:
43.37000

[ LogP ]:
1.87

[ Vapour density ]:
6.6 (vs air)

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.509

[ Water Solubility ]:
INSOLUBLE

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AF4878000

CHEMICAL NAME :: Acetic acid, benzoyl-, ethyl ester

CAS REGISTRY NUMBER :: 94-02-0

BEILSTEIN REFERENCE NO. :: 0389944

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H12-O3

MOLECULAR WEIGHT :: 192.23

WISWESSER LINE NOTATION :: 2OV1VR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,65,1982

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
AF4878000

[ HS Code ]:
29183000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

EDA
Benzaldehyde
Acetophenone
Ethyl carbonate
ETHYL-3-HYDROXY-3-PHENYL PROPIONATE
Potassium monoethyl malonate
Benzoyl chloride
Benzonitrile
ethyl acetate
phenyl(trimethylsilyl)methanone

DownStream

2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one
ethyl 6-chloro-2-phenyl-4-(2-phenylethynyl)quinoline-3-carboxylat e
N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide
6-chloro-2-phenyl-4-quinolone
2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
(-)-Ethyl (S)-3-hydroxy-3-phenylpropionate
(+)-2,2-DIMETHYL-4,5-((DIPHENYLPHOSPHINO)DIMETHYL)DIOXOLANE
4-chloro-2-phenyl-quinoline
7,8-Dihydroxyflavone
3-(2-Hydroxyphenyl)propionate

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Articles

A practical and convenient fluorination of 1,3-dicarbonyl compounds using aqueous HF in the presence of iodosylbenzene.

Org. Lett. 13 , 2392-2394, (2011)

A simple, practical, and convenient fluorination of 1,3-dicarbonyl compounds was achieved by direct use of aqueous hydrofluoric acid and iodosylbenzene (PhIO). The reaction of ethyl benzoylacetate wit...

Reaction of iodonium ylides of 1,3-dicarbonyl compounds with HF reagents.

Molecules 17(6) , 6625-32, (2012)

Reaction of dibenzoylmethane with (diacetoxyiodo)benzene in the presence of KOH in MeCN quantitatively gave the corresponding iodonium ylide, which was treated with a HF reagent to afford the correspo...

A short synthesis of the triazolopyrimidine antibiotic essramycin.

J. Nat. Prod. 73(11) , 1938-9, (2010)

A short synthesis of the 1,2,4-triazolo[1,5-a]pyrimidine antibiotic essramycin is described involving condensation of aminoguanidine with ethyl benzoylacetate to give an amino-1,2,4-triazole, followed...

ethyl 3-oxo-3-phenylpropanoate,thallium(1+)
2-(trimethylsilyl)ethyl 3-oxo-3-phenylpropanoate
ethyl 3-bromo-2-oxo-3-phenylpropanoate
Ethyl 3-chloro-2-oxo-3-phenylpropanoate
ethyl 3-oxo-3-(2'-trimethylsilyl-3'-furyl)propanoate
ethyl 3-oxo-3-(pyridin-2-ylamino)propianoate
CID 68974124
[3-(2,3-Dihydro-1-benzofuran-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine hydrochloride
Ethyl 2-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)acetate
5-(Morpholin-4-yl)-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one; carbonic acid
2-{[(2-Chlorophenyl)methyl]amino}propane-1,3-diol
5-(Furan-2-yl)-4-methyl-1,2,3,6-tetrahydropyridine hydrochloride
Methyl 3-[(methylamino)carbonyl]-5-(5-methylpyridin-2-yl)benzoate
1-(Azetidin-3-yl)-3-methylurea hydrochloride
Methyl 3-(5-methylpyridin-2-yl)-5-(1-((trimethylsilyl)methyl)-1H-1,2,3-triazol-5-yl)benzoate
5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine hydrochloride

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