2-(4-Methoxyphenoxy)propanoic acid

Base Information

• Chemical Name: 2-(4-Methoxyphenoxy)propanoic acid
• CAS No.: 13794-15-5
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• Hs Code.: 2918990090
• NSC Number: 352144
• UNII: K573UZ6O8U
• DSSTox Substance ID: DTXSID00864442
• Nikkaji Number: J1.119.912G
• Wikidata: Q3215901
• Metabolomics Workbench ID: 48943
• ChEMBL ID: CHEMBL573448
• Mol file: 13794-15-5.mol

Synonyms:2-(4-methoxyphenoxy)propanoic acid;2-(p-methoxyphenoxy)propanoate;2-PMP-PA;Na-PMP

Chemical Property of 2-(4-Methoxyphenoxy)propanoic acid

Chemical Property:

• Appearance/Colour: white to pale cream, crystalline solid
• Vapor Pressure: 6.15E-05mmHg at 25°C
• Melting Point: 92-94 °C
• Boiling Point: 331.6 °C at 760 mmHg
• PKA: 3.29±0.10(Predicted)
• Flash Point: 130.3 °C
• PSA: 55.76000
• Density: 1.185 g/cm³
• LogP: 1.54710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

98% ^*data from raw suppliers

2-(4-Methoxyphenoxy)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=C(C=C1)OC
• Uses: Sodium 2-(4-methoxyphenoxy)propanoic acid is a taste modulator that inhibits the perception of sweetness in humans, but not in rats.

Technology Process of 2-(4-Methoxyphenoxy)propanoic acid

There total 10 articles about 2-(4-Methoxyphenoxy)propanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

ethyl 2-(4-methoxyphenoxy)propanoate (111479-08-4,958238-90-9) → 2-(4-methoxyphenoxy)propanoic acid (13794-15-5,4276-73-7,4276-75-9)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 0 ℃; for 4h;

DOI:10.1021/jo034253x

Reference yield: 82.0%

(±)-2-(p-methoxyphenoxy)propionic acid sodium salt → 2-(4-methoxyphenoxy)propanoic acid (13794-15-5,4276-73-7,4276-75-9)

Guidance literature:

With phosphoric acid;

DOI:10.1021/ja00338a027

Reference yield: 81.0%

4-methoxy-phenol (150-76-5) + 2-Bromopropionic acid (598-72-1,10327-08-9) → 2-(4-methoxyphenoxy)propanoic acid (13794-15-5,4276-73-7,4276-75-9)

Guidance literature:

With sodium hydroxide; In ethanol; at 80 ℃; for 24h;

DOI:10.1021/jacs.6b12254

upstream raw materials:

4-methoxy-phenol

2-Bromopropionic acid

ethyl 2-(4-methoxyphenoxy)propanoate

(R,S)-2-chloropropionic acid

Downstream raw materials:

3-Methyl-1,4-dioxa-spiro[4.5]deca-6,9-diene-2,8-dione

4-methoxy-phenol

2-(4'-methoxyphenoxy)propanoic acid chloride

2-(4-methoxyphenoxy)-N-(2-(pyridine-4-yl)benzo[d]oxazol-5-yl)propanamide

Refernces

• 1、 -. "Alkali-sensitive ring opening cucurbituril and application thereof". Paragraph 0017; 0018. . Retrieved 2018/08/04.
• 2、 -. "A 2 - (4-methoxyphenoxy) process for industrial production of sodium propionate". Paragraph 0029; 0030. . Retrieved 2016/10/07.