Cochliodinol

Base Information

• Chemical Name: Cochliodinol
• CAS No.: 11051-88-0
• Molecular Formula: C₃₂H₃₀N₂O₄
• Molecular Weight: 506.601
• NSC Number: 695240
• DSSTox Substance ID: DTXSID20149268
• Nikkaji Number: J13.335C
• Wikidata: Q83015003
• Metabolomics Workbench ID: 106974
• Mol file: 11051-88-0.mol

Synonyms:cochliodinol

Chemical Property of Cochliodinol

Chemical Property:

• Vapor Pressure: 2.66E-26mmHg at 25°C
• Melting Point: 214°C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 790°Cat760mmHg
• PKA: 2.52±0.50(Predicted)
• Flash Point: 431.6°C
• PSA: 106.18000
• Density: 1.344g/cm³
• LogP: 7.05680
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 506.22055744
• Heavy Atom Count: 38
• Complexity: 1000

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cochliodinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=CC2=C(C=C1)NC=C2C3=C(C(=O)C(=C(C3=O)O)C4=CNC5=C4C=C(C=C5)CC=C(C)C)O)C
• Uses: Cochliodinol is an antibiotic metabolite of Chaetomium cochliodes and C. globosum.

Technology Process of Cochliodinol

There total 1 articles about Cochliodinol 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:

1,2,4,5-Tetraacetoxy-3,6-bis(5-(3-methyl-2-butenyl)-3-indolyl)benzol (56489-25-9) → cochliodinol (11051-88-0)

Guidance literature:

With hydrogenchloride; oxygen; palladium on activated charcoal; Yield given. Multistep reaction; 1.) CH₃OH, 30 min, reflux;

DOI:10.1002/jlac.198619861009

upstream raw materials:

1,2,4,5-Tetraacetoxy-3,6-bis(5-(3-methyl-2-butenyl)-3-indolyl)benzol

Refernces