3-[2-(2,4-Dichlorophenoxy)phenyl]-2-propenoic acid

Base Information

• Chemical Name: 3-[2-(2,4-Dichlorophenoxy)phenyl]-2-propenoic acid
• CAS No.: 86308-90-9
• Molecular Formula: C₁₅H₁₀Cl₂O₃
• Molecular Weight: 309.149
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID901227343
• Mol file: 86308-90-9.mol

Synonyms:3-[2-(2,4-dichlorophenoxy)phenyl]-2-propenoic acid;DTXSID901227343;FT-0680076

Chemical Property of 3-[2-(2,4-Dichlorophenoxy)phenyl]-2-propenoic acid

Chemical Property:

• Vapor Pressure: 6.28E-08mmHg at 25°C
• Melting Point: 227-229°C
• Boiling Point: 423.5°C at 760 mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 209.9°C
• PSA: 46.53000
• Density: 1.408g/cm³
• LogP: 4.88350
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 308.0006996
• Heavy Atom Count: 20
• Complexity: 359

Purity/Quality:

97% ^*data from raw suppliers

3-[2-(2,4-Dichlorophenoxy)phenyl]acrylic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)O)OC2=C(C=C(C=C2)Cl)Cl

Technology Process of 3-[2-(2,4-Dichlorophenoxy)phenyl]-2-propenoic acid

There total 5 articles about 3-[2-(2,4-Dichlorophenoxy)phenyl]-2-propenoic 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: 32.0%

malonic acid (141-82-2) + 2-(2,4-dichlorophenoxy)benzaldehyde (86309-06-0) → 2-(2,4-dichlorophenoxy)cinnamic acid (86308-90-9)

Guidance literature:

With piperidine; pyridine; for 5h; Heating;

DOI:10.1021/jm00364a004

Reference yield:

potassium 2-formylphenolate (33838-32-3) → 2-(2,4-dichlorophenoxy)cinnamic acid (86308-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 2 h / 220 °C

2: 32 percent / pyridine, piperidine / 5 h / Heating

With piperidine; pyridine;

DOI:10.1021/jm00364a004

Reference yield:

sodium 2,4-dichlorophenolate (3757-76-4) → 2-(2,4-dichlorophenoxy)cinnamic acid (86308-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 2,4-dichlorophenol, copper / 48 h / 110 °C

2: 32 percent / pyridine, piperidine / 5 h / Heating

With piperidine; pyridine; copper; 2,4-dichlorophenol;

DOI:10.1021/jm00364a004

upstream raw materials:

malonic acid

2-(2,4-dichlorophenoxy)benzaldehyde

potassium 2-formylphenolate

sodium 2,4-dichlorophenolate

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