3-(2-METHOXYPHENYL)PROPIONIC ACID Chemical Properties

Melting point:

85-87 °C (lit.)

Boiling point:

273.02°C (rough estimate)

Density 

1.1272 (rough estimate)

refractive index 

1.5160 (estimate)

storage temp. 

Sealed in dry,Room Temperature

pka

pK1:4.804 (25°C)

Appearance

White to off-white Solid

BRN 

2097012

InChI

InChI=1S/C10H12O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)

InChIKey

XSZSNLOPIWWFHS-UHFFFAOYSA-N

SMILES

C1(CCC(O)=O)=CC=CC=C1OC

CAS DataBase Reference

6342-77-4(CAS DataBase Reference)

Safety Information

Safety Statements 

22-24/25

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29189990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

3-(2-METHOXYPHENYL)PROPIONIC ACID Usage And Synthesis

Chemical Properties

WHITE FINE CRYSTALLINE POWDER

Definition

ChEBI: 3-(2-Methoxyphenyl)propanoic acid is a monocarboxylic acid and a member of benzenes.

Synthesis

GENERAL METHOD: (E)-3-(2-methoxyphenyl)acrylic acid (1.0 mmol, 0.148 g), catalyst BPPd(0)Si (5 mol%, 0.0836 g), and KOH (1.0 eq., 5 mL of 0.2 M solution) were added to the reaction mixture and reacted under hydrogen (1 atm) atmosphere. After the reaction mixture was stirred at room temperature for 30 min, the catalyst was removed by filtration and the filtrate was washed with 10 mL of water and ethyl acetate. The pH of the filtrate was adjusted to 2-3 with 1 N HCl. Subsequently, the organic phase was collected by solvent extraction with ethyl acetate and dried with MgSO4. The dried organic phase was concentrated under reduced pressure and the resulting crude product was purified by silica gel column chromatography and the final product was structurally confirmed by 1H NMR spectroscopy.

References

[1] Journal of Organometallic Chemistry, 2017, vol. 846, p. 296 - 304
[2] Tetrahedron, 1989, vol. 45, # 5, p. 1441 - 1446
[3] Journal of Medicinal Chemistry, 1993, vol. 36, # 20, p. 2891 - 2898
[4] Bioorganic Chemistry, 2018, vol. 80, p. 408 - 421
[5] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 14, p. 1519 - 1522

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