2-Iodomelatonin

Base Information

• Chemical Name: 2-Iodomelatonin
• CAS No.: 93515-00-5
• Molecular Formula: C₁₃H₁₅IN₂O₂
• Molecular Weight: 358.179
• Hs Code.: 2933990090
• UNII: 2Q5TZ5754A
• DSSTox Substance ID: DTXSID30239462
• Nikkaji Number: J423.408A
• Wikipedia: 2-Iodomelatonin
• Wikidata: Q27071905
• Pharos Ligand ID: CSPXNUYKU9U6
• Metabolomics Workbench ID: 151336
• ChEMBL ID: CHEMBL289233
• Mol file: 93515-00-5.mol

Synonyms:2-iodomelatonin;N-(2-(2-iodo-5-methoxy-IH-indol-3-yl)ethyl)acetamide

Chemical Property of 2-Iodomelatonin

Chemical Property:

• Vapor Pressure: 3.32E-13mmHg at 25°C
• Boiling Point: 574.5°Cat760mmHg
• Flash Point: 301.3°C
• PSA: 54.12000
• Density: 1.63g/cm³
• LogP: 2.85060
• Storage Temp.: −20°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 358.01783
• Heavy Atom Count: 18
• Complexity: 301

Purity/Quality:

99%min ^*data from raw suppliers

2-Iodomelatonin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I
• Uses: 2-Iodomelatonin is a potent agonist of the melatonin receptors (MEL-1).

Technology Process of 2-Iodomelatonin

There total 1 articles about 2-Iodomelatonin 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: 98.8%

5-methoxy-N-acetyl-tryptamine (73-31-4) → 2-iodomelatonin (93515-00-5)

Guidance literature:

With Iodine monochloride; In dichloromethane; at 20 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.tet.2012.05.053

upstream raw materials:

5-methoxy-N-acetyl-tryptamine

Refernces

• 1、 Thireau, Jeremy,Marteaux, Justine,Delagrange, Philippe,Lefoulon, Francois,Dufourny, Laurence,Guillaumet, Gerald,Suzenet, Franck. "Original design of fluorescent ligands by fusing BODIPY and melatonin neurohormone". supporting information. p. 158 - 161. Retrieved 2014/03/21.
• 2、 -. "Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles". . . Retrieved 2008/06/13.