3-(3,5-Dihydroxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(3,5-Dihydroxyphenyl)propanoic acid
• CAS No.: 26539-01-5
• Molecular Formula: C9H10O4
• Molecular Weight: 182.176
• Hs Code.: 2918290000
• European Community (EC) Number: 663-298-7
• UNII: 7YU8R3VQ5R
• DSSTox Substance ID: DTXSID90181110
• Wikipedia: 3,5-Dihydroxyphenylpropionoic_acid
• Wikidata: Q15410158
• Mol file: 26539-01-5.mol

Synonyms:3,5-dihydroxyphenylpropionic acid

Chemical Property of 3-(3,5-Dihydroxyphenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 1.2E-07mmHg at 25°C
• Refractive Index: 1.62
• Boiling Point: 415.5 °C at 760 mmHg
• PKA: 4.68±0.10(Predicted)
• Flash Point: 219.2 °C
• PSA: 77.76000
• Density: 1.398 g/cm³
• LogP: 1.11500
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Dihydroxyhydrocinnamic acid analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1O)O)CCC(=O)O
• Use Description: 3-(3,5-Dihydroxyphenyl)-1-propanoic acid, also known as dihydrocaffeic acid, has various applications in different fields. In the realm of natural products and phytochemistry, it is a vital compound found in various plants and fruits. Its role is fundamental in elucidating the chemical composition of natural sources, contributing to the understanding of the health benefits associated with consuming these plants and fruits. Additionally, in the pharmaceutical and nutraceutical industries, dihydrocaffeic acid may find use as a natural antioxidant and potential therapeutic agent due to its antioxidant properties. Its significance varies within these fields, but it consistently plays a crucial role in advancing our knowledge of natural compounds, their potential health benefits, and their applications in pharmaceuticals and dietary supplements.

Technology Process of 3-(3,5-Dihydroxyphenyl)propanoic acid

There total 3 articles about 3-(3,5-Dihydroxyphenyl)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:

2-(3',5'-Dimethoxyphenyl)-ethane-1,1-dicarboxylic acid (730-01-8) → 3-(3′,5′-dihydroxyphenyl)propionic acid (26539-01-5)

Guidance literature:

With pyridine hydrochloride; at 220 ℃; for 1h; Yield given;

Reference yield:

→ 3-(3′,5′-dihydroxyphenyl)propionic acid (26539-01-5)

Guidance literature:

aus entspr. Dimethoxyverb.;

Reference yield:

epigallocatechin (970-73-0,1617-55-6,3371-27-5,13425-13-3,136892-45-0,970-74-1,98032-84-9) → 5-(3,5-dihydroxyphenyl)-4-hydroxyvaleric acid (1204316-08-4) + 3-(3′,5′-dihydroxyphenyl)propionic acid (26539-01-5) + (-)-5-(3',5'-dihydroxyphenyl)-(4R)-γ-valerolactone

Guidance literature:

With Wistar rat intestinal flora; In methanol; water; for 96h; Microbiological reaction; Phosphate buffer; Anaerobic conditions;

DOI:10.1021/jf903375s

upstream raw materials:

2-(3',5'-Dimethoxyphenyl)-ethane-1,1-dicarboxylic acid

epigallocatechin