3-(3-Methoxyphenyl)propionic acid Struktur

3-(m-Methoxyphenyl)propionsure

Bezeichnung:3-(m-Methoxyphenyl)propionsure

CAS-Nr10516-71-9

Englisch Name:3-(3-Methoxyphenyl)propionic acid

CBNumberCB3246306

SummenformelC10H12O3

Molgewicht180.2

MOL-Datei10516-71-9.mol

Synonyma

3-(m-Methoxyphenyl)propionsure

3-(m-Methoxyphenyl)propionsure physikalisch-chemischer Eigenschaften

Schmelzpunkt	43-45 °C (lit.)
Siedepunkt	318.1±17.0 °C(Predicted)
Dichte	1.144±0.06 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	Soluble in DMSO
Aggregatzustand	Solid
pka	pK1:4.654 (25°C)
Farbe	White to light yellow
Wasserlöslichkeit	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 Datenbank	10516-71-9(CAS DataBase Reference)

Sicherheit

R-Sätze:	36/37/38
S-Sätze:	26-36/37/39
WGK Germany	3
HazardClass	IRRITANT
HS Code	29189900
Speicherklasse	11 - Combustible Solids

Gefahreninformationscode (GHS)

3-(3-Methoxyphenyl)propionic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
Brown, low melting solid
Verwenden
3-(3-Methoxyphenyl)propionic acid is used as pharmaceutical intermediates.
Definition
ChEBI: 3-Methoxybenzenepropanoic acid is a member of methoxybenzenes.
Allgemeine Beschreibung
3-(3-Methoxyphenyl)propionic acid can be prepared by the catalytic (palladium on charcoal) reduction of its corresponding unsaturated acid with H₂.
Synthese

6099-04-3

10516-71-9

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.
Einzelnachweise
[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

3-(3-Methoxyphenyl)propionic acid Upstream-Materialien And Downstream Produkte

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