ChemicalBook > CAS DataBase List > 3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER

3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER

Product Name: 3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER
CAS No.: 51725-82-7
Chemical Name: 3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER
Synonyms: Ethyl o-toluoylacetate;3-OXO-3-O-TOLYLPROPANOATE;Ethyl o-methylbenzoylacetate;ETHYL (2-METHYLBENZOYL)ACETATE;ETHYL 3-OXO-3-O-TOLYLPROPANOATE;Ethyl 2-(2-methylbenzoyl)acetate;Ethyl 3-Oxo-3-(o-tolyl)propionate;Ethyl (2-methylbenzoyl)acetate 97%;2-Methylbenzoylacetic acid ethyl ester;2-[(2-methylphenyl)-oxomethyl]butanoate
CBNumber: CB7747245
Molecular Formula: C12H14O3
Formula Weight: 206.24
MOL File: 51725-82-7.mol

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3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER Property

Boiling point:: 256-257 °C(lit.)
Density: 1.069 g/mL at 25 °C(lit.)
refractive index: n20/D 1.5255(lit.)
Flash point:: >230 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
pka: 10.00±0.46(Predicted)
color: Colorless to Light yellow to Light orange
λmax: 287nm(MeOH)(lit.)
CAS DataBase Reference: 51725-82-7(CAS DataBase Reference)

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Safety

WGK Germany: 3
HS Code: 2918.30.3000

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TCI Chemical

Product number: E1125
Product name: Ethyl (2-Methylbenzoyl)acetate
Purity: >98.0%(T)
Packaging: 1g
Price: $133
Updated: 2025/07/31

TRC

Product number: E572630
Product name: ethyl3-(2-methylphenyl)-3-oxopropanoate
Packaging: 50mg
Price: $65
Updated: 2021/12/16

TRC

Product number: E572630
Product name: ethyl3-(2-methylphenyl)-3-oxopropanoate
Packaging: 10mg
Price: $45
Updated: 2021/12/16

AK Scientific

Product number: 7228AB
Product name: Ethyl2-(2-methylbenzoyl)acetate
Packaging: 1g
Price: $54
Updated: 2021/12/16

AK Scientific

Product number: J99197
Product name: Ethyl2-(2-methylbenzoyl)acetate
Packaging: 1g
Price: $40
Updated: 2021/12/16

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3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER Chemical Properties,Usage,Production

Uses

Reactant for:• ;Preparation of highly substituted furans by tandem condensation-cyclization reactions using bismuth triflate catalyst1• ;Co/Mn-mediated oxidative cross-coupling2• ;Enantioselective ruthenium-catalyzed hydrogenation3• ;Preparation of cambinol analogs for sirtuin inhibition with antitumor action4

Uses

Reactant for:

Preparation of highly substituted furans by tandem condensation-cyclization reactions using bismuth triflate catalyst
Co/Mn-mediated oxidative cross-coupling
Enantioselective ruthenium-catalyzed hydrogenation
Preparation of cambinol analogs for sirtuin inhibition with antitumor action

General Description

Ethyl (2-methylbenzoyl)acetate is a β-keto ester. It undergoes Co/Mn mediated oxidative coupling reaction with various indole derivatives.

Synthesis

577-16-2

105-58-8

51725-82-7

Diethyl carbonate (23.6 g, 200 mmol, 4.0 eq.) was slowly added to a stirred mixture of sodium hydride suspension (60% dispersed in mineral oil, 7.20 g, 180 mmol, 3.6 eq.) and toluene (300 mL) at room temperature. After stirring for 15 minutes, o-toluidine (6.70 g, 50.0 mmol, 1.0 eq.) was added and the reaction mixture was heated to reflux and maintained for 18 hours. Subsequently, glacial acetic acid (15 mL) was added dropwise over 10 minutes, followed by careful addition of ice water (150 mL). The mixture was extracted with ethyl acetate and the combined organic layers were dried over magnesium sulfate and subsequently concentrated under reduced pressure. The resulting residue was purified by silica gel fast column chromatography (elution gradient: 0 to 5% ethyl acetate in pentane solution) to afford 7.94 g (77% yield) of ethyl 3-oxo-3-(2-methylphenyl)propanoate as an oil (ketone/enol interconjugate isomer ratio 4:1).1H NMR (ketone interconjugate isomer) (400 MHz, CDCl3) δ: 7.66 (s 1H), 7.41 (s, 1H), 7.30-7.25 (m, 2H), 4.22-4.15 (m, 2H), 3.96-3.94 (m, 2H), 2.55 (s, 3H), 1.28-1.22 (m, 3H).

References

[1] Patent: US2012/22043, 2012, A1. Location in patent: Page/Page column 89
[2] Journal of Organic Chemistry, 2004, vol. 69, # 22, p. 7582 - 7591
[3] Patent: WO2015/183839, 2015, A1. Location in patent: Page/Page column 254; 255
[4] Chemistry - A European Journal, 2008, vol. 14, # 27, p. 8082 - 8085
[5] European Journal of Organic Chemistry, 2015, vol. 2015, # 17, p. 3656 - 3660

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Raw materials

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View Lastest Price from 3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER manufacturers

Career Henan Chemical Co

Product: 3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER 51725-82-7
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100KG
Release date: 2019-12-20

51725-82-7, 3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTERRelated Search:

Ethyl 2,3-dihydro-5,6-dimethoxy-1-oxo-1H-indene-2-carboxylate 3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER ETHYL (2-ISOPROPYLBENZOYL)ACETATE 3-OXO-3-(2-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER ETHYL (4-FLUORO-2-METHYLBENZOYL)ACETATE ethyl 3-(2,4-dimethylphenyl)-3-oxopropanoate ETHYL (4-METHOXY-2-METHYLBENZOYL)ACETATE ethyl 2-benzylbenzoylacetate ETHYL (2-ETHYLBENZOYL)ACETATE ETHYL (3-FLUORO-6-METHYLBENZOYL)ACETATE 3-OXO-3-(4-TOLYL)PROPIONIC ACID ETHYL ESTER,3-OXO-3-P-TOLYL-PROPIONIC ACID ETHYL ESTER 3-OXO-3-(3-TOLYL)PROPIONIC ACID ETHYL ESTER,3-OXO-3-M-TOLYL-PROPIONIC ACID ETHYL ESTER 3-(2-METHYLPHENYL)PROPIONIC ACID 2-(4-NITRO-PHENYL)-3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER AKOS MSC-0288 AKOS 93470 SODIUM-2-ETHOXYCARBONYLINDAN-1,3-DIONE ETHYL (2-PHENYLBENZOYL)ACETATE

3-OXO-3-O-TOLYLPROPANOATE

Ethyl 2-(2-methylbenzoyl)acetate

Ethyl o-methylbenzoylacetate

Ethyl o-toluoylacetate

Ethyl (2-methylbenzoyl)acetate 97%

ETHYL (2-METHYLBENZOYL)ACETATE

ETHYL 3-OXO-3-O-TOLYLPROPANOATE

3-OXO-3-O-TOLYL-PROPIONIC ACID ETHYL ESTER

3-OXO-3-(2-TOLYL)PROPIONIC ACID ETHYL ESTER

2-Methylbenzoylacetic acid ethyl ester

3-(2-Methylphenyl)-3-oxopropionic acid ethyl ester

3-Oxo-3-(2-methylphenyl)propanoic acid ethyl ester

3-Oxo-3-(2-methylphenyl)propionic acid ethyl ester

β-Oxo-2-methylbenzenepropionic acid ethyl ester

2-[(2-methylphenyl)-oxomethyl]butanoate

Benzenepropanoic acid, 2-methyl-β-oxo-, ethyl ester

Ethyl 3-Oxo-3-(o-tolyl)propionate

Benzenepropanoicacid,2-methyl-β-oxo-,ethylester

51725-82-7

Esters

Organic Building Blocks

Building Blocks

Carbonyl Compounds

C12 to C63

Building Blocks

C12 to C63

Carbonyl Compounds

Chemical Synthesis

Organic Building Blocks

C12 to C63

Carbonyl Compounds

Esters