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
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)
Safety
- WGK Germany
- 3
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.
N-Bromosuccinimide Price
- Product number
- 559261
- Product name
- Ethyl (3-bromobenzoyl)acetate
- Purity
- 95%
- Packaging
- 1g
- Price
- $107
- Updated
- 2023/06/20
- Product number
- 559261
- Product name
- Ethyl (3-bromobenzoyl)acetate
- Purity
- 95%
- Packaging
- 5g
- Price
- $330
- Updated
- 2023/06/20
- Product number
- E900928
- Product name
- Ethyl3-(3-Bromophenyl)-3-oxopropanoate
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
- Product number
- 014847
- Product name
- 3-(3-Bromo-phenyl)-3-oxo-propionicacidethylester
- Purity
- 95%
- Packaging
- 1g
- Price
- $45
- Updated
- 2021/12/16
- Product number
- B824
- Product name
- Ethyl (3-bromobenzoyl)acetate
- Packaging
- 1g
- Price
- $111
- Updated
- 2021/12/16
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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