Desaminodesmethyllavendamycin methyl ester

Base Information

• Chemical Name: Desaminodesmethyllavendamycin methyl ester
• CAS No.: 104145-44-0
• Molecular Formula: C₂₂H₁₃N₃O₄
• Molecular Weight: 383.363
• UNII: K73J8KKW3O
• DSSTox Substance ID: DTXSID20146318
• Wikidata: Q27282041
• Mol file: 104145-44-0.mol

Synonyms:Desaminodesmethyllavendamycin methyl ester;CCRIS 3207;UNII-K73J8KKW3O;BRN 5642096;K73J8KKW3O;104145-44-0;9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(5,8-dihydro-5,8-dioxo-2-quinolinyl)-, methyl ester;1-(5,8-Dihydro-5,8-dioxo-2-quinolinyl)-9H-pyrido(3,4-b)indole-3-carboxylic acid methyl ester;DTXSID20146318;LS-133442;Q27282041

Chemical Property of Desaminodesmethyllavendamycin methyl ester

Chemical Property:

• Vapor Pressure: 2.25E-21mmHg at 25°C
• Boiling Point: 733.5°Cat760mmHg
• Flash Point: 397.4°C
• Density: 1.481g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 383.09060590
• Heavy Atom Count: 29
• Complexity: 738

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=NC5=C(C=C4)C(=O)C=CC5=O

Technology Process of Desaminodesmethyllavendamycin methyl ester

There total 2 articles about Desaminodesmethyllavendamycin methyl ester 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:

8-hydroxyquinoline (88238-76-0) → 1-(5,8-Dioxo-5,8-dihydro-quinolin-2-yl)-9H-β-carboline-3-carboxylic acid methyl ester (104145-44-0)

Guidance literature:

With ammonium cerium(IV) nitrate; Yield given;

DOI:10.1248/cpb.34.1376

Reference yield:

1-(7-Bromo-5,8-dioxo-5,8-dihydro-quinolin-2-yl)-9H-β-carboline-3-carboxylic acid methyl ester (88238-78-2) → 1-(5,8-Dioxo-5,8-dihydro-quinolin-2-yl)-9H-β-carboline-3-carboxylic acid methyl ester (104145-44-0)

Guidance literature:

Multistep reaction;

DOI:10.1248/cpb.34.1376

upstream raw materials:

8-hydroxyquinoline

1-(7-Bromo-5,8-dioxo-5,8-dihydro-quinolin-2-yl)-9H-β-carboline-3-carboxylic acid methyl ester