| Identification | More | [Name]
3-(3-METHOXYPHENYL)PROPIONIC ACID | [CAS]
10516-71-9 | [Synonyms]
3-(3-METHOXYPHENYL)PROPANOIC ACID
3-(3-METHOXYPHENYL)PROPIONIC ACID
3-METHOXYHYDROCINNAMIC ACID
3-(M-METHOXYPHENYL)PROPIONIC ACID
M-METHOXYHYDROCINNAMIC ACID
Benzenepropanoic acid, 3-methoxy-
beta-(m-Methoxyphenyl)propionic acid
3-(3-Methoxphenyl)propionicacid
3-(3-METHOXYPHENYL)PROPIONIC ACID 99%
3-(3-Methoxyphenyl)propionic acid, 98+%
3-Methoxy-β-phenylpropionic acid
3-Methoxybenzenepropanoic acid
3-Methoxybenzenepropionic acid | [EINECS(EC#)]
234-049-6 | [Molecular Formula]
C10H12O3 | [MDL Number]
MFCD00014027 | [Molecular Weight]
180.2 | [MOL File]
10516-71-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
43-45 °C (lit.) | [Boiling point ]
318.1±17.0 °C(Predicted) | [density ]
1.144±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Soluble in DMSO | [form ]
Solid | [pka]
pK1:4.654 (25°C) | [color ]
White to light yellow | [Water Solubility ]
Soluble in water. | [BRN ]
1874422 | [InChI]
InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12) | [InChIKey]
BJJQJLOZWBZEGA-UHFFFAOYSA-N | [SMILES]
C1(CCC(O)=O)=CC=CC(OC)=C1 | [CAS DataBase Reference]
10516-71-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [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 . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29189900 |
| Hazard Information | Back Directory | [Chemical Properties]
Brown, low melting solid | [Uses]
3-(3-Methoxyphenyl)propionic acid is used as pharmaceutical intermediates. | [Definition]
ChEBI: 3-Methoxybenzenepropanoic acid is a member of methoxybenzenes. | [General Description]
3-(3-Methoxyphenyl)propionic acid can be prepared by the catalytic (palladium on charcoal) reduction of its corresponding unsaturated acid with H2. | [Synthesis]
3-Methoxycinnamic acid (8) (3.56 g, 19.98 mmol) was dissolved in methanol (100 mL) and 10% Pd/C catalyst (0.44 g) was added. The mixture was stirred in a hydrogen (balloon) atmosphere for 12 h at room temperature. Upon completion of the reaction, the reaction mixture was filtered through diatomaceous earth (Celite) and the diatomaceous earth was washed with ethyl acetate (3 x 30 mL). The filtrates were combined and the ethyl acetate and methanol were removed by evaporation under reduced pressure to give 3-(3-methoxyphenyl)propionic acid (10) (3.59 g, 19.7 mmol, quantitative yield). The product was characterized by 1H NMR (CDCl3, 600 MHz) and 13C NMR (CDCl3, 150 MHz) with the following data: 1H NMR δ 11.93 (1H, s), 7.27 (1H, t, J = 7.5 Hz), 6.88 (2H, m), 6.83 (1H, d, J = 8 Hz), 3.79 (3H, s), 3.79 (3H, s) 2.99 (2H, t, J = 7 Hz), 2.73 (2H, t, J = 7 Hz); 13C NMR δ 179.2, 159.9, 142.0, 129.6, 120.7, 114.2, 111.6, 54.9, 35.5, 30.6. | [storage]
Store at -20°C | [References]
[1] MedChemComm, 2016, vol. 7, # 12, p. 2418 - 2427
[2] Patent: US2018/2355, 2018, A1. Location in patent: Paragraph 0094
[3] Journal of Organic Chemistry, 1992, vol. 57, # 4, p. 1262 - 1271
[4] Journal of Organic Chemistry, 1996, vol. 61, # 26, p. 9146 - 9155
[5] Tetrahedron Asymmetry, 2014, vol. 25, # 6-7, p. 578 - 582 |
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