3,5-DIMETHOXYPHENYLPROPIONIC ACID Chemical Properties

Melting point:

60-62°C

Boiling point:

175°C 1mm

Density 

1.159±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

4?+-.0.10(Predicted)

Appearance

White to off-white Solid

CAS DataBase Reference

717-94-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

HazardClass 

IRRITANT

HS Code 

29189900

3,5-DIMETHOXYPHENYLPROPIONIC ACID Usage And Synthesis

Chemical Properties

White solid

Uses

3-(3,5-Dimethoxyphenyl)propanoic acid is a derivative of 3-(3,4-Dimethoxyphenyl)propanoic Acid (D460730), which is one of the novel circulating coffee metabolites in human plasma.

Synthesis

General procedure for the synthesis of 3,5-dimethoxyphenylpropionic acid from (E)-3-(3,5-dimethoxyphenyl)propenoic acid: to a mixed solution of (E)-3-(3,5-dimethoxyphenyl)propenoic acid (12 g, 57.7 mmol) in ethyl acetate (EtOAc, 100 ml) and methanol (MeOH, 100 ml), 10% palladium/carbon ( Pd/C, 1.3 g). The reaction mixture was placed in a Parr apparatus and the reaction was shaken under 30-40 psi hydrogen pressure for 5 hours. Upon completion of the reaction, the reaction solution was filtered through a diatomaceous earth pad and the filtrate was collected. The filtrate was concentrated and dried under reduced pressure at 50 °C to afford the target product 3,5-dimethoxyphenylpropionic acid (11.7 g, 96.55% yield). m/e 209 (M-1) by LC-MS.

References

[1] Patent: WO2007/71348, 2007, A1. Location in patent: Page/Page column 87
[2] Journal of Organic Chemistry, 2003, vol. 68, # 15, p. 5967 - 5973
[3] Chemistry - An Asian Journal, 2015, vol. 10, # 4, p. 1050 - 1064
[4] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 22, p. 6956 - 6964

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