3-Methylriboflavin

Base Information

• Chemical Name: 3-Methylriboflavin
• CAS No.: 28721-76-8
• Molecular Formula: C18H22 N4 O6
• Molecular Weight: 390.39048
• DSSTox Substance ID: DTXSID50182885
• Nikkaji Number: J601.105E
• Wikidata: Q83053580
• Mol file: 28721-76-8.mol

Synonyms:3-methylriboflavin

Chemical Property of 3-Methylriboflavin

Chemical Property:

• Vapor Pressure: 6.89E-19mmHg at 25°C
• Boiling Point: 670.4°C at 760 mmHg
• Flash Point: 359.3°C
• PSA: 150.70000
• Density: 1.56g/cm³
• LogP: -1.66480
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 390.15393443
• Heavy Atom Count: 28
• Complexity: 710

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)N(C(=O)C3=N2)C)CC(C(C(CO)O)O)O
• Isomeric SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)N(C(=O)C3=N2)C)C[C@@H]([C@@H]([C@@H](CO)O)O)O

Technology Process of 3-Methylriboflavin

There total 4 articles about 3-Methylriboflavin 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: 73.0%

3-methyl-tetraacetylriboflavin (21066-33-1) → 3-methylriboflavin (28721-76-8)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; for 20h; Reflux;

DOI:10.1002/adsc.200800576

Reference yield:

→ 3-methylriboflavin (28721-76-8)

Guidance literature:

With ethanol; platinum; Behandeln des Reaktionsprodukts mit der NaHSO₃-Verbindung des Methylalloxans in Essigsaeure unter Zusatz von H₃BO₃;

Reference yield:

→ 3-methyl-riboflavin (28721-76-8)

Guidance literature:

3-Methyl-tetra-O-acetyl-riboflavin (HCl);

DOI:10.1002/hlca.19670500709

upstream raw materials:

3-methyl-tetraacetylriboflavin

Refernces