Indomethacin Ester, 4-Methoxyphenyl-

Base Information

• Chemical Name: Indomethacin Ester, 4-Methoxyphenyl-
• CAS No.: 261766-24-9
• Molecular Formula: C26H22ClNO5
• Molecular Weight: 463.91
• DSSTox Substance ID: DTXSID701146266
• Nikkaji Number: J1.403.220G
• Pharos Ligand ID: A5WQA56QVNDA
• ChEMBL ID: CHEMBL316866
• Mol file: 261766-24-9.mol

Synonyms:Indomethacin Ester, 4-Methoxyphenyl-;261766-24-9;CHEMBL316866;1h-indole-3-acetic acid,1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,4-methoxyphenyl ester;Indomethacin derivative, 8;1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic Acid, 4-Methoxyphenyl Ester;BDBM22955;DTXSID701146266;J-016307;1-(4-Chlorobenzoyl)-2-methyl-5-methoxy-1H-indole-3-acetic acid 4-methoxyphenyl ester;4-Methoxyphenyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate;4-methoxyphenyl 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetate

Chemical Property of Indomethacin Ester, 4-Methoxyphenyl-

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 463.1186505
• Heavy Atom Count: 33
• Complexity: 674

Purity/Quality:

95% ^*data from raw suppliers

IndomethacinEster,4-Methoxyphenyl- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4=CC=C(C=C4)OC
• Uses: Indomethacin Ester, 4-Methoxyphenyl- is a potent and selective inhibitor of COX-2.

Technology Process of Indomethacin Ester, 4-Methoxyphenyl-

There total 1 articles about Indomethacin Ester, 4-Methoxyphenyl- 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: 88.0%

[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid (53-86-1) + 4-methoxy-phenol (150-76-5) → indomethacin 4-methoxyphenyl ester (261766-24-9)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 5h;

DOI:10.1021/jm000004e

upstream raw materials:

[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

4-methoxy-phenol

Refernces

• 1、 Kalgutkar, Amit S.,Marnett, Alan B.,Crews, Brenda C.,Remmel, Rory P.,Marnett, Lawrence J.. "Ester and amide derivatives of the nonsteroidal antiinflammatory drug, indomethacin, as selective cyclooxygenase-2 inhibitors". . p. 2860 - 2870. Retrieved 2007/10/03.