3-(2,4-dihydroxyphenyl)prop-2-enoic Acid

Base Information

• Chemical Name: 3-(2,4-dihydroxyphenyl)prop-2-enoic Acid
• CAS No.: 614-86-8
• Molecular Formula: C₉H₈O₄
• Molecular Weight: 180.16
• Hs Code.: 2918290000
• European Community (EC) Number: 693-615-4
• DSSTox Substance ID: DTXSID50862291
• Wikidata: Q105027705,Q105027704
• Mol file: 614-86-8.mol

Synonyms:(2E)-3-(2,4-Dihydroxyphenyl)acrylic acid;3-(2,4-dihydroxyphenyl)prop-2-enoic Acid;DTXSID50862291;HGEFWFBFQKWVMY-UHFFFAOYSA-N;3-(2,4-dihydroxyphenyl)-acrylic acid;PD042935;FT-0610125

Chemical Property of 3-(2,4-dihydroxyphenyl)prop-2-enoic Acid

Chemical Property:

• Vapor Pressure: 2.56E-08mmHg at 25°C
• Melting Point: 202 °C (dec.)
• Boiling Point: 434.5oC at 760 mmHg
• PKA: 4.70±0.13(Predicted)
• Flash Point: 230.7oC
• PSA: 77.76000
• Density: 1.478±0.06 g/cm3(Predicted)
• LogP: 1.19560
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

97% ^*data from raw suppliers

(2E)-3-(2,4-Dihydroxyphenyl)acrylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41-36/37/38
• Safety Statements: 26-39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)O)C=CC(=O)O

Technology Process of 3-(2,4-dihydroxyphenyl)prop-2-enoic Acid

There total 6 articles about 3-(2,4-dihydroxyphenyl)prop-2-enoic 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: 44.0%

2,4-dimethoxycinnamic acid (6972-61-8) → 3-(2,4-dihydroxyphenyl)prop-2-enoic acid (99699-42-0,614-86-8)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃;

DOI:10.1021/jm2004046

Reference yield:

→ 3-(2,4-dihydroxyphenyl)prop-2-enoic acid (99699-42-0,614-86-8)

Guidance literature:

With potassium hydroxide; water; at 70 ℃;

Reference yield:

malonic acid (141-82-2) + 2,4-Dihydroxybenzaldehyde (95-01-2) → 3-(2,4-dihydroxyphenyl)prop-2-enoic acid (99699-42-0,614-86-8)

Guidance literature:

With piperidine; for 3h; Reflux;

DOI:10.1016/j.ejmech.2014.03.015

upstream raw materials:

7-hydroxy-2H-chromen-2-one

7-acetyloxycoumarin

2,4-dimethoxycinnamic acid

malonic acid