2-Hydroxy-3-(4-methoxyphenyl)propanoic acid

Base Information

• Chemical Name: 2-Hydroxy-3-(4-methoxyphenyl)propanoic acid
• CAS No.: 28030-15-1
• Molecular Formula: C₁₀H₁₂O₄
• Molecular Weight: 196.203
• Hs Code.: 2918990090
• European Community (EC) Number: 871-348-6
• DSSTox Substance ID: DTXSID401275109
• Metabolomics Workbench ID: 48523
• Nikkaji Number: J392.252I
• Wikidata: Q105007096
• Mol file: 28030-15-1.mol

Synonyms:2-hydroxy-3-(4-methoxyphenyl)propanoic acid;28030-15-1;Benzenepropanoic acid,a-hydroxy-4-methoxy-;BENZENEPROPANOIC ACID, A-HYDROXY-4-METHOXY-;SCHEMBL1371092;CHEBI:173970;DTXSID401275109;MFCD07778404;AKOS006286609;Benzoic acid, 3-amino-2,4,6-tribromo-;SY144125;CS-0223149;EN300-114147;Z1198174222

Chemical Property of 2-Hydroxy-3-(4-methoxyphenyl)propanoic acid

Chemical Property:

• Melting Point: 88 °C
• Boiling Point: 372.9±27.0 °C(Predicted)
• PKA: 3.78±0.10(Predicted)
• PSA: 66.76000
• Density: 1.263±0.06 g/cm3(Predicted)
• LogP: 0.68320
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

A-HYDROXY-4-METHOXY-BENZENEPROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CC(C(=O)O)O

Technology Process of 2-Hydroxy-3-(4-methoxyphenyl)propanoic acid

There total 10 articles about 2-Hydroxy-3-(4-methoxyphenyl)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: 92.0%

3-(4′-methoxyphenyl)-prop-1,2-diol (17131-20-3) → 2-hydroxy-3-(4-methoxyphenyl)propanoic acid (33173-34-1,28030-15-1)

Guidance literature:

With 1-hydroxycyclohexyl phenyl ketone; sodium hydroxide; In 1,2-dimethoxyethane; at 80 ℃; chemoselective reaction; Sealed tube;

DOI:10.1021/acs.orglett.1c02188

Reference yield: 68.0%

4-(p-methoxyphenyl)-2,3-diketobutyramide hydrate (133373-30-5) → 2-hydroxy-3-(4-methoxyphenyl)propanoic acid (33173-34-1,28030-15-1)

Guidance literature:

With hydrogenchloride; In ethanol; for 4h; Heating;

DOI:10.1021/jo00009a029

Reference yield:

methyl 3-(4-methoxyphenyl)glycidate (42245-42-1) → 2-hydroxy-3-(4-methoxyphenyl)propanoic acid (33173-34-1,28030-15-1)

Guidance literature:

Multi-step reaction with 3 steps

2: Raney-Ni / ethanol

3: aq. NaOH / ethanol

With sodium hydroxide; nickel; In ethanol;

upstream raw materials:

4-(p-methoxyphenyl)-2,3-diketobutyramide hydrate

2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester

p-methoxybenzyltartronic acid monoamide

methyl 3-(4-methoxyphenyl)glycidate