3-(4-METHOXYPHENOXY)PROPANOIC ACID
- Product Name
- 3-(4-METHOXYPHENOXY)PROPANOIC ACID
- CAS No.
- 20811-60-3
- Chemical Name
- 3-(4-METHOXYPHENOXY)PROPANOIC ACID
- Synonyms
- AKOS BC-0464;BUTTPARK 80\07-08;IFLAB-BB F1575-0111;3-(4-METHOXYPHENOXY)PROPANOIC ACID;3-(p-Methoxyphenoxy)propionic acid;3-(p-Methoxyphenoxy)propanoic acid;Propanoic acid,3-(4-Methoxyphenoxy)-;3-(4-METHOXY-PHENOXY)-PROPIONIC ACID
- CBNumber
- CB0350567
- Molecular Formula
- C10H12O4
- Formula Weight
- 196.2
- MOL File
- 20811-60-3.mol
3-(4-METHOXYPHENOXY)PROPANOIC ACID Property
- Melting point:
- 110.5 °C
- Boiling point:
- 321.7±17.0 °C(Predicted)
- Density
- 1.188±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.14±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C10H12O4/c1-13-8-2-4-9(5-3-8)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
- InChIKey
- SGTCAUQLJIKBMM-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCOC1=CC=C(OC)C=C1
Safety
- HazardClass
- IRRITANT
- HS Code
- 2918999090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- S542938
- Product name
- 3-(4-METHOXYPHENOXY)PROPIONIC ACID
- Purity
- Aldrich<sup>CPR</sup>
- Packaging
- 1 unit
- Price
- $30.7
- Updated
- 2025/07/31
- Product number
- S542938
- Product name
- 3-(4-METHOXYPHENOXY)PROPIONIC ACID
- Purity
- Aldrich
- Packaging
- 50mg
- Price
- $29.8
- Updated
- 2024/03/01
- Product number
- M219203
- Product name
- 3-(4-Methoxyphenoxy)propanoicAcid
- Packaging
- 500mg
- Price
- $200
- Updated
- 2021/12/16
- Product number
- 0648AB
- Product name
- 3-(4-Methoxyphenoxy)propanoicacid
- Packaging
- 1g
- Price
- $85
- Updated
- 2021/12/16
- Product number
- 053735
- Product name
- 3-(4-Methoxyphenoxy)propanoic acid
- Packaging
- 500mg
- Price
- $237
- Updated
- 2021/12/16
3-(4-METHOXYPHENOXY)PROPANOIC ACID Chemical Properties,Usage,Production
Synthesis
63815-39-4
20811-60-3
General procedure for the synthesis of 3-(4-methoxyphenoxy)propionic acid from 3-(4-methoxyphenoxy)propanenitrile: 945 g (5.34 mol, 1 equiv.) of a sample of 3-(4-methoxyphenoxy)propanenitrile was loaded into a 22 L round-bottomed flask fitted with an overhead stirrer, and 4 L of concentrated hydrochloric acid was added to the stirred solid under nitrogen protection. 2 L of water was added slowly and the reaction mixture was heated to 100 °C and kept for 3.5 h, at which point the completion of the reaction was confirmed by high performance liquid chromatography (HPLC) analysis. The reaction was cooled to 10 °C by adding ice to the reaction mixture. After drying, 920 g of crude 3-(4-methoxyphenoxy)propionic acid was obtained. The crude product was dissolved in 5 L of 6 wt% sodium carbonate aqueous solution (pH=9), 2 L of dichloromethane (DCM) was added to the reaction vessel, and after thorough stirring, the organic layer was separated and discarded with a dispensing funnel. The aqueous layer was refilled into a 22 L flask and the pH of the aqueous layer was carefully adjusted to 4.0 by slowly adding 6 M hydrochloric acid.The precipitated solid was filtered and dried in a vacuum oven to give 900 g of 3-(4-methoxyphenoxy)propionic acid as a white solid (yield: 86.04%).1H NMR (450 MHz, CDCl3): δ=2.78 (t, 2H; CH2COOH); 3.70 (s, 3H; OCH3); 4.18 (t, 2H; OCH2); 6.78 (m, 4H; Ar-H).13C NMR (112.5 MHz, CDCl3): δ=34.703 (CH2COOH); 55.925 (OCH3); 64.088 (OCH2); 114.855 (CH3OCCH); 115.984 (CH2OCCH); 152.723 (CH3OC); 154.302 (CH2OC); 177.386 (COOH).
References
[1] Patent: WO2010/39256, 2010, A1. Location in patent: Page/Page column 91
[2] Patent: JP2016/41761, 2016, A. Location in patent: Paragraph 0182; 0183
[3] Patent: US9481671, 2016, B2. Location in patent: Page/Page column 68-69
[4] Patent: WO2008/150486, 2008, A2. Location in patent: Page/Page column 91
[5] ChemMedChem, 2015, vol. 10, # 12, p. 2042 - 2062
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