Palomid 529

Base Information

• Chemical Name: Palomid 529
• CAS No.: 914913-88-5
• Molecular Formula: C24H22O6
• Molecular Weight: 406.435
• Hs Code.: 29322090
• European Community (EC) Number: 806-313-6
• UNII: XV9409EWG4
• ChEMBL ID: CHEMBL2141712
• DSSTox Substance ID: DTXSID601026005
• Metabolomics Workbench ID: 153728
• Nikkaji Number: J3.030.426H
• Wikidata: Q27294013
• Mol file: 914913-88-5.mol

Synonyms:palomid 529;RES-529

Chemical Property of Palomid 529

Chemical Property:

• Appearance/Colour: solid
• Melting Point: No Data Available
• Boiling Point: No Data Available
• PSA: 78.13000
• Density: 1.280
• LogP: 4.59570
• Storage Temp.: ?20°C
• Solubility.: DMSO: soluble10mg/mL, clear
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 406.14163842
• Heavy Atom Count: 30
• Complexity: 574

Purity/Quality:

97% ^*data from raw suppliers

Palomid 529 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C1=CC2=C(C=C1)C3=CC(=C(C=C3OC2=O)OCC4=CC=C(C=C4)OC)OC)O
• Recent ClinicalTrials: Palomid 529 in Patients With Neovascular Age-Related Macular Degeneration

Technology Process of Palomid 529

There total 7 articles about Palomid 529 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:

C24H20O6 (914913-86-3) → palomid 529 (914913-88-5)

Guidance literature:

With sodium tetrahydroborate; In methanol; dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/acscatal.8b02816

Reference yield:

C12H10INO2 → palomid 529 (914913-88-5)

Guidance literature:

Multi-step reaction with 5 steps

1.1: [Ru(p-cymene)(MeCN)₃](SbF₆)₂; zinc trifluoromethanesulfonate; copper diacetate; acetic acid / toluene / 15 h / 130 °C

2.1: copper(l) iodide; 3,4,7,8-Tetramethyl-o-phenanthrolin; caesium carbonate / toluene / 24 h / 110 °C

3.1: methyl trifluoromethanesulfonate / toluene / 2 h / 100 °C

3.2: 0.5 h / 80 °C

3.3: 0.5 h / 20 °C

4.1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 80 °C

5.1: sodium tetrahydroborate / methanol; dichloromethane / 3 h / 20 °C

With sodium tetrahydroborate; copper(l) iodide; 3,4,7,8-Tetramethyl-o-phenanthrolin; [Ru(p-cymene)(MeCN)₃](SbF₆)₂; copper diacetate; zinc trifluoromethanesulfonate; potassium carbonate; caesium carbonate; acetic acid; methyl trifluoromethanesulfonate; In methanol; dichloromethane; N,N-dimethyl-formamide; toluene; 2.1: |Ullmann Condensation;

DOI:10.1021/acscatal.8b02816

Reference yield:

4-methoxy-phenol (150-76-5) → palomid 529 (914913-88-5)

Guidance literature:

Multi-step reaction with 7 steps

1.1: copper(l) iodide; 2-Picolinic acid; potassium phosphate / dimethyl sulfoxide / 24 h / 90 °C

2.1: N-iodo-succinimide; toluene-4-sulfonic acid / acetonitrile / 10 h / 60 °C

3.1: [Ru(p-cymene)(MeCN)₃](SbF₆)₂; zinc trifluoromethanesulfonate; copper diacetate; acetic acid / toluene / 15 h / 130 °C

4.1: copper(l) iodide; 3,4,7,8-Tetramethyl-o-phenanthrolin; caesium carbonate / toluene / 24 h / 110 °C

5.1: methyl trifluoromethanesulfonate / toluene / 2 h / 100 °C

5.2: 0.5 h / 80 °C

5.3: 0.5 h / 20 °C

6.1: potassium carbonate / N,N-dimethyl-formamide / 12 h / 80 °C

7.1: sodium tetrahydroborate / methanol; dichloromethane / 3 h / 20 °C

With 2-Picolinic acid; sodium tetrahydroborate; potassium phosphate; N-iodo-succinimide; copper(l) iodide; 3,4,7,8-Tetramethyl-o-phenanthrolin; [Ru(p-cymene)(MeCN)₃](SbF₆)₂; copper diacetate; zinc trifluoromethanesulfonate; potassium carbonate; caesium carbonate; toluene-4-sulfonic acid; acetic acid; methyl trifluoromethanesulfonate; In methanol; dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide; toluene; acetonitrile; 4.1: |Ullmann Condensation;

DOI:10.1021/acscatal.8b02816

upstream raw materials:

4-methoxy-phenol

C₂₄H₂₀O₆

2-(4-methoxyphenoxy)pyridine