6-Iodonordihydrocapsaicin

Base Information

• Chemical Name: 6-Iodonordihydrocapsaicin
• CAS No.: 859171-97-4
• Molecular Formula: C₁₇H₂₆INO₃
• Molecular Weight: 419.303
• Hs Code.: 3822009000
• European Community (EC) Number: 635-784-9
• UNII: 36DPP36EQD
• ChEMBL ID: CHEMBL177809
• DSSTox Substance ID: DTXSID70408796
• Nikkaji Number: J2.550.883A
• Pharos Ligand ID: YZDY9BGD36Z1
• Wikidata: Q27185977
• Mol file: 859171-97-4.mol

Synonyms:6-iodonordihydrocapsaicin

Chemical Property of 6-Iodonordihydrocapsaicin

Chemical Property:

• Vapor Pressure: 7.8E-13mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 552.9oC at 760 mmHg
• Flash Point: 288.2oC
• PSA: 58.56000
• Density: 1.375g/cm3
• LogP: 4.76310
• Storage Temp.: 2-8°C
• Solubility.: H2O: insoluble
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 419.09574
• Heavy Atom Count: 22
• Complexity: 314

Purity/Quality:

99% BY HPLC ^*data from raw suppliers

6-Iodonordihydrocapsaicin ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC(=O)NCC1=CC(=C(C=C1I)O)OC
• Uses: 6-?iodonordihydrocapsaicin (6-?I-?CPS) is a weak ERα agonist. It was demonstrated to induce luciferase gene expression.

Technology Process of 6-Iodonordihydrocapsaicin

There total 4 articles about 6-Iodonordihydrocapsaicin 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: 66.0%

6-iodo-3-methoxy-4-(triisopropylsilyloxy)-N-(nonanoyl)benzylamine (1202631-12-6) → 6'-Iodononivamide (859171-97-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/b914981c

Reference yield:

nonanoic acid 2-iodo-5-methoxy-4-(2-methoxy-ethoxymethoxy)-benzylamide → 6'-Iodononivamide (859171-97-4)

Guidance literature:

With tin(IV) chloride; In tetrahydrofuran; at 20 ℃; for 72h;

DOI:10.1021/jm050139q

Reference yield:

nonanoic acid 3-methoxy-4-(2-methoxy-ethoxymethoxy)-benzylamide → 6'-Iodononivamide (859171-97-4)

Guidance literature:

Multi-step reaction with 2 steps

1: CF₃COOAg; iodine / CHCl₃ / 20 °C

2: 235 mg / SnCl₄ / tetrahydrofuran / 72 h / 20 °C

With iodine; silver trifluoroacetate; tin(IV) chloride; In tetrahydrofuran; chloroform;

DOI:10.1021/jm050139q

upstream raw materials:

Nonivamide

6-iodo-3-methoxy-4-(triisopropylsilyloxy)-N-(nonanoyl)benzylamine