363774
Ethyl 4-bromobenzoate
98%
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About This Item
Linear Formula:
BrC6H4CO2C2H5
CAS Number:
Molecular Weight:
229.07
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
227-347-2
MDL number:
Assay:
98%
Form:
liquid
Quality Level
assay
98%
form
liquid
refractive index
n20/D 1.544 (lit.)
bp
131 °C/14 mmHg (lit.)
density
1.403 g/mL at 25 °C (lit.)
functional group
bromo, ester
SMILES string
CCOC(=O)c1ccc(Br)cc1
InChI
1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChI key
XZIAFENWXIQIKR-UHFFFAOYSA-N
General description
Ethyl 4-bromobenzoate is an ester having electron-withdrawing substituent. It undergoes reduction with potassium diisobutyl-t-butoxyaluminum hydride (PDBBA) at 0°C to yield aldehydes. Reaction of ethyl 4-bromobenzoate and substituted benzyl chloride with zinc dust and a Pd catalyst is reported.
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
>235.4 °F - closed cup
flash_point_c
> 113 °C - closed cup
ppe
Eyeshields, Gloves
Regulatory Information
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Christophe Duplais et al.
Chemical communications (Cambridge, England), 46(4), 562-564 (2010-01-12)
A remarkably simple entry to unsymmetrical diarylmethanes has been developed that relies on an in situ organozinc-mediated, palladium-catalyzed cross-coupling. Thus, by mixing a benzyl and aryl halide together in the presence of Zn metal and a Pd catalyst, diarylmethanes are
Chemoselective Reduction of Esters to Aldehydes by Potassium Diisobutyl-t-butoxyaluminum Hydride (PDBBA).
Chae MJ, et al.
Bull. Korean Chem. Soc., 28(12), 2517-2517 (2007)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 363774-100G | 04061836684709 |
| 363774-25G | 04061831825190 |