4-(Bromomethyl)phenylaceticacidphenacylester Chemical Properties

Boiling point:

290.6±20.0 °C(Predicted)

Density 

1.415±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

form 

White wooly crystalline solid

Appearance

White to yellow Solid

InChI

InChI=1S/C10H11BrO2/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5H,6-7H2,1H3

InChIKey

APXOMRFLJBRHNX-UHFFFAOYSA-N

SMILES

C1(CC(OC)=O)=CC=C(CBr)C=C1

Safety Information

HS Code 

2916399090

4-(Bromomethyl)phenylaceticacidphenacylester Usage And Synthesis

Chemical Properties

4-(Bromomethyl)phenylacetic acid phenacyl ester has reactive groups that allow it to be conjugated to amino acids or peptides with free amine or carboxylic acid groups.

Uses

4-(Bromomethyl)phenylaceticacidphenacylester is used in the laboratory for the detection of protein-protein interactions. It can be conjugated to a protein target, such as human serum albumin, and then used as a hydrogen bond donor in an assay.

Synthesis

4-(Bromomethyl)phenylaceticacidphenacylester is synthesized by reacting 4-(bromomethyl)phenylacetic acid with phenacyl bromide and potassium carbonate in chloroform.

References

[1] Patent: WO2014/66659, 2014, A1. Location in patent: Paragraph 0616
[2] Patent: EP1939199, 2008, A1. Location in patent: Page/Page column 96-97
[3] Journal of Medicinal Chemistry, 2009, vol. 52, # 4, p. 1180 - 1189
[4] Patent: WO2015/137750, 2015, A1. Location in patent: Paragraph 710; 711
[5] Patent: WO2013/171281, 2013, A1. Location in patent: Page/Page column 169

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