ChemicalBook--->CAS DataBase List--->717-94-2

717-94-2

717-94-2 Structure

717-94-2 Structure
IdentificationMore
[Name]

3,5-DIMETHOXYPHENYLPROPIONIC ACID
[CAS]

717-94-2
[Synonyms]

3-(3,5-DIMETHOXYPHENYL)PROPIONIC ACID
3,5-DIMETHOXYPHENYLPROPIONIC ACID
3-(3,5-DIMETHOXYPHENYL)PROPANOIC ACID
[Molecular Formula]

C11H14O4
[MDL Number]

MFCD03425685
[Molecular Weight]

210.23
[MOL File]

717-94-2.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HazardClass ]

IRRITANT
[HS Code ]

29189900
Hazard InformationBack Directory
[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]

(E)-3-(3,5-dimethoxyphenyl)acrylic acid

20767-04-8

3,5-DIMETHOXYPHENYLPROPIONIC ACID

717-94-2

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
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DIMETHOXYPHENYLPROPIONIC ACID(717-94-2)1HNMR
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