2'-Carboxymethoxy-4,4'-bis(3-methyl-2-butenyloxy) chalcone

Base Information

• Chemical Name: 2'-Carboxymethoxy-4,4'-bis(3-methyl-2-butenyloxy) chalcone
• CAS No.: 64506-49-6
• Molecular Formula: C27H30O6
• Molecular Weight: 450.532
• DSSTox Substance ID: DTXSID5023586
• Mol file: 64506-49-6.mol

Synonyms:DTXSID5023586;2'-carboxymethoxy-4,4'-bis(3-methyl-2-butenyloxy) chalcone;FT-0630747

Chemical Property of 2'-Carboxymethoxy-4,4'-bis(3-methyl-2-butenyloxy) chalcone

Chemical Property:

• Vapor Pressure: 8.75E-18mmHg at 25°C
• Melting Point: 143-144°
• Refractive Index: 1.578
• Boiling Point: 650 °C at 760 mmHg
• PKA: 2.98±0.10(Predicted)
• Flash Point: 215.2 °C
• PSA: 82.06000
• Density: 1.149 g/cm³
• LogP: 5.73610
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 450.20423867
• Heavy Atom Count: 33
• Complexity: 706

Purity/Quality:

99% ^*data from raw suppliers

Sofalcone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCOC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OCC=C(C)C)OCC(=O)O)C
• Description: Sofalcone is a synthetic antiulcer agent related to sophoradin, the active principle of the Chinese medicinal plant, Sophora subprostata. It is suggested to act via a strengthening of the mucosal barrier through an increase in blood flow and stimulation of the synthesis of sulfated mucopolysaccharides.
• Uses: Sofalcone is a substituted chalcone with anti-ulcer activity. Sofalcone is an anti-ulcer chalcone derivative. It blocks inflammation by suppressing the production of nitric oxide, TNF-α, and MCP-1 while inducing the expression of heme oxygenase-1 when used at 10-20 μM. Sofalcone (20-50 μM) induces VEGF expression in gastric epithelial cells and promotes gastric ulcer healing following eradication therapy for H. pylori.[Cayman Chemical]

Technology Process of 2'-Carboxymethoxy-4,4'-bis(3-methyl-2-butenyloxy) chalcone

There total 3 articles about 2'-Carboxymethoxy-4,4'-bis(3-methyl-2-butenyloxy) chalcone 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:

4-(3-methyl-but-2-enyloxy)-benzaldehyde (28090-12-2) + 2-(ethoxycarbonylmethoxy)-4-(3-methyl-2-butenyloxy)-acetophenone (64506-46-3) → sofalcone (64506-49-6)

Guidance literature:

With potassium hydroxide; In ethanol;

Reference yield:

→ sofalcone (64506-49-6)

Guidance literature:

2-Ethoxycarbonylmethoxy-4-(3-methyl-buten-2-yloxy)-acetophenon, 4-(3-Methylbuten-2-yloxy)-benzaldehyd, KOH (20percent);

Reference yield:

→ sofalcone (64506-49-6)

Guidance literature:

Entspr.Acetophenon, entspr.Benzaldehyd;

upstream raw materials:

4-(3-methyl-but-2-enyloxy)-benzaldehyde

2-(ethoxycarbonylmethoxy)-4-(3-methyl-2-butenyloxy)-acetophenone

Refernces