Ilicicolin E

Base Information

• Chemical Name: Ilicicolin E
• CAS No.: 23887-67-4
• Molecular Formula: C23H27 Cl O4
• Molecular Weight: 402.9111
• DSSTox Substance ID: DTXSID501043812
• Nikkaji Number: J16.598K
• Wikidata: Q76387225
• Mol file: 23887-67-4.mol

Synonyms:Ilicicolin E;Cylindrochlorin;23887-67-4;3-Chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)benzaldehyde (1S-(1alpha(2E,4E),2beta,6beta))-;beta-Resorcylaldehyde, 5-chloro-6-methyl-3-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)-;Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-5-oxo-3-cyclohexen-1-yl)-2,4-pentadienyl)-, (1S-(1alpha(2E,4E),2beta,6beta))-;SCHEMBL12587057;DTXSID501043812;LS-143427

Chemical Property of Ilicicolin E

Chemical Property:

• Vapor Pressure: 3.18E-13mmHg at 25°C
• Boiling Point: 561.7°C at 760 mmHg
• Flash Point: 293.5°C
• Density: 1.217g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 402.1597870
• Heavy Atom Count: 28
• Complexity: 682

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C=CC(=O)C(C1(C)C=CC(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)C
• Isomeric SMILES: C[C@@H]1C=CC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)C

Technology Process of Ilicicolin E

There total 1 articles about Ilicicolin E 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:

→ 3-<3-Methyl-5-(1.2.6-trimethyl-3-oxo-cyclohexen-(4)-yl-(1))-alltrans-pentadien-(2.4)-yl-(1)>-5-chlor-2.4-dihydroxy-6-methyl-benzaldehyd (22581-11-9,23887-67-4)

Guidance literature:

3-<3-Methyl-5-(1.2.6-trimethyl-3-oxo-5-acetoxy-cyclohexyl-(1))-alltrans-pentadien-(2.4)-yl-(1)>-5-chlor-2.4-dihydroxy-6-methyl-benzaldehyd, NaOH;

DOI:10.1016/S0040-4020(01)82703-4

Reference yield: 64.7%

Cylindrochlorin (23887-67-4) → Ascochlorin (26166-39-2)

Guidance literature:

With potassium hydroxide; hydrogen; palladium on activated charcoal; for 0.0833333h; under 760 Torr; Ambient temperature;

DOI:10.1248/cpb.42.953

Downstream raw materials:

Ascochlorin