ChemicalBook > CAS DataBase List > 3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

Product Name: 3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
CAS No.: 21575-91-7
Chemical Name: 3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
Synonyms: ETHYL (3-BROMOBENZOYL)ACETATE;Ethyl (3-bromobenzoyl)acetate 95%;Ethyl 3-bromo-β-oxobenzenepropanoate;2-[(3-bromophenyl)-oxomethyl]butanoate;ETHYL 3-(3-BROMOPHENYL)-3-OXOPROPANOATE;Ethyl (3-bromobenzoyl)acetate;3-Bromo--oxo-benzenepropanoic acid ethyl ester;Benzenepropanoic acid,3-bromo-b-oxo-, ethyl ester;Benzenepropanoic acid, 3-bromo-β-oxo-, ethyl ester;3-(3-bromophenyl)-3-keto-propionic acid ethyl ester
CBNumber: CB6268266
Molecular Formula: C11H11BrO3
Formula Weight: 271.11
MOL File: 21575-91-7.mol

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3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Property

Boiling point:: 255-256 °C(lit.)
Density: 1.416 g/mL at 25 °C(lit.)
refractive index: n20/D 1.565(lit.)
Flash point:: >230 °F
storage temp.: Sealed in dry,Room Temperature
pka: 9.91±0.46(Predicted)
Appearance: Light brown to reddish brown Liquid
CAS DataBase Reference: 21575-91-7(CAS DataBase Reference)

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Safety

WGK Germany: 3

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

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.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 559261
Product name: Ethyl (3-bromobenzoyl)acetate
Purity: 95%
Packaging: 1g
Price: $107
Updated: 2023/06/20

Sigma-Aldrich

Product number: 559261
Product name: Ethyl (3-bromobenzoyl)acetate
Purity: 95%
Packaging: 5g
Price: $330
Updated: 2023/06/20

TRC

Product number: E900928
Product name: Ethyl3-(3-Bromophenyl)-3-oxopropanoate
Packaging: 1g
Price: $75
Updated: 2021/12/16

Oakwood

Product number: 014847
Product name: 3-(3-Bromo-phenyl)-3-oxo-propionicacidethylester
Purity: 95%
Packaging: 1g
Price: $45
Updated: 2021/12/16

AK Scientific

Product number: B824
Product name: Ethyl (3-bromobenzoyl)acetate
Packaging: 1g
Price: $111
Updated: 2021/12/16

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3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Chemical Properties,Usage,Production

Uses

Reactant involved in synthesis of:

Aroylbenzoxepinones for analgesic activity
(Heteroaryl)(carboxamido)arylpyrrole derivatives with Cdc7 kinase inhibitory activity
Cambinol analogs for sirtuin inhibition and antitumor activity
TunePhos-type diphosphine ligands via asymmetric hydrogenation

Synthesis

24398-88-7

141-78-6

21575-91-7

A solution of 1.3 M LHMDS (25 mL, 32.7 mmol) in THF (10 mL) was stirred at -78 °C and under an inert atmosphere, and ethyl acetate (1.9 g, 21.8 mmol) was added slowly. After stirring for 15 min, ethyl 3-bromobenzoate (5 g, 21.8 mmol) was added and stirring was continued for 2 hours. The reaction progress was monitored by TLC. Upon completion of the reaction, the reaction was quenched with 10 mL of saturated aqueous NH4Cl and extracted with ethyl acetate (3 x 20 mL). The organic phases were combined, dried with anhydrous Na2SO4 and concentrated under reduced pressure to obtain the crude product. The crude product was purified by silica gel column chromatography with 4% ethyl acetate/hexane as eluent to afford the target compound, ethyl 3-bromobenzoylacetate (4.5 g, 76.9%) as a mixture of enol forms in the form of a brown oil.1H NMR (500 MHz, CDCl3): δ 8.07 (s, 1H), 7.86 (d, J=7.5 Hz, 1H), 7.73 -7.69 (m, 1H), 7.37 (t, J=7.0Hz, 1H), 4.28-4.26 (m, 2H), 3.92 (s, 2H), 1.24 (t, J=6.2Hz, 3H).MS (ESI): m/z 298.8 [M-1].

References

[1] Patent: WO2015/191630, 2015, A1. Location in patent: Paragraph 00457
[2] Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 13, p. 2991 - 3013

3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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21575-91-7, 3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTERRelated Search:

3-(4-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 3-(2-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER RARECHEM AL BI 0439 AKOS MSC-0298 3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 6-BROMO-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER RARECHEM AL BI 0781

3-(3-bromophenyl)-3-keto-propionic acid ethyl ester

ETHYL 3-(3-BROMOPHENYL)-3-OXOPROPANOATE

ETHYL (3-BROMOBENZOYL)ACETATE

3-Bromo--oxo-benzenepropanoic acid ethyl ester

2-[(3-bromophenyl)-oxomethyl]butanoate

Ethyl (3-bromobenzoyl)acetate 95%

3-(3-BROMO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER

Benzenepropanoic acid,3-bromo-b-oxo-, ethyl ester

Benzenepropanoic acid, 3-bromo-β-oxo-, ethyl ester

Ethanone,1-[6-hydroxy-2,3-dimethoxy-6-(phenylmethoxy)phenyl]-

Ethyl 3-bromo-β-oxobenzenepropanoate

Ethyl (3-<WBR>bromobenzoyl)<WBR>acetate

21575-91-7

BrC6H4COCH2CO2C2H5

Esters

Organic Building Blocks

C10 to C11

Carbonyl Compounds

Building Blocks

C10 to C11

Carbonyl Compounds

Esters