| Identification | More | [Name]
3-(2-METHOXYPHENYL)PROPIONIC ACID | [CAS]
6342-77-4 | [Synonyms]
2-METHOXYHYDROCINNAMIC ACID
3-(2-METHOXYPHENYL)PROPANOIC ACID
3-(2-METHOXYPHENYL)PROPIONIC ACID
3-(O-METHOXYPHENYL)PROPIONIC ACID
AKOS BC-2706
BETA-(O-METHOXYPHENYL)PROPIONIC ACID
O-METHOXYHYDROCINNAMIC ACID
TIMTEC-BB SBB003749
Benzenepropanoic acid, 2-methoxy-
Benzenpropionic acid, 2-methoxy
3-(2-Methoxyphenyl)propionic acid, 98+%
3-(2-METHOXYPHENYL)-PROPIONIC ACID 98%
2-Methoxybenzenepropanoic acid
2-Methoxybenzenepropionic acid | [EINECS(EC#)]
228-738-0 | [Molecular Formula]
C10H12O3 | [MDL Number]
MFCD00002772 | [Molecular Weight]
180.2 | [MOL File]
6342-77-4.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE FINE CRYSTALLINE POWDER | [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) | [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 Data | Back Directory | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29189990 |
| Hazard Information | Back Directory | [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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