5-O-Methylvisamminol

Base Information

• Chemical Name: 5-O-Methylvisamminol
• CAS No.: 80681-42-1
• Molecular Formula: C₁₆H₁₈O₅
• Molecular Weight: 290.316
• DSSTox Substance ID: DTXSID10331695
• Nikkaji Number: J605.839F
• Wikidata: Q27105556
• Metabolomics Workbench ID: 27987
• Mol file: 80681-42-1.mol

Synonyms:5-O-methylvisamminol

Chemical Property of 5-O-Methylvisamminol

Chemical Property:

• Vapor Pressure: 4.78E-10mmHg at 25°C
• Melting Point: 133-135℃
• Boiling Point: 480.6 °C at 760 mmHg
• PKA: 14.25±0.29(Predicted)
• Flash Point: 179.1 °C
• PSA: 68.90000
• Density: 1.281 g/cm³
• LogP: 2.18440
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 290.11542367
• Heavy Atom Count: 21
• Complexity: 469

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

5-O-METHYLVISAMMINOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)O)OC
• Isomeric SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O)OC

Technology Process of 5-O-Methylvisamminol

There total 11 articles about 5-O-Methylvisamminol 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:

Prim-O-Glucosylcimifugin (80681-45-4) → cimifugin (37921-38-3) + (S)-(+)-5-O-methylvisamminol (6778-51-4,80681-42-1)

Guidance literature:

With human intestinal flora; In methanol; at 37 ℃; for 48h; Microbiological reaction;

DOI:10.1080/10286020.2012.702756

Reference yield:

C32H36O5Si → (S)-(+)-5-O-methylvisamminol (6778-51-4,80681-42-1)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 10 ℃; for 1h;

Reference yield:

C32H36O5Si → 5-O-methylvisamminol + (S)-(+)-5-O-methylvisamminol (6778-51-4,80681-42-1)

Guidance literature:

With Shi's ketone; tetrabutyl ammonium fluoride; In tetrahydrofuran; at 10 ℃; for 1h;

upstream raw materials:

dimethyl sulfate

methyl iodide

Prim-O-Glucosylcimifugin

C₁₅H₁₆O₅

Refernces

• 1、 Zhao, Bo,Yang, Xiu-Wei,Yang, Xin-Bao,Liu, Jian-Xun. "Biotransformation of prim-O-glucosylcimifugin by human intestinal flora and its inhibition on NO production and DPPH free radical". . p. 886 - 896,11. Retrieved 2020/08/24.