Isoeugenitol

Base Information

• Chemical Name: Isoeugenitol
• CAS No.: 479-06-1
• Molecular Formula: C₁₁H₁₀O₄
• Molecular Weight: 206.198
• DSSTox Substance ID: DTXSID601318026
• Nikkaji Number: J12.585G
• Wikidata: Q27163895
• Metabolomics Workbench ID: 43864
• ChEMBL ID: CHEMBL1371435
• Mol file: 479-06-1.mol

Synonyms:Isoeugenitol;5,7-dihydroxy-2,8-dimethylchromone;479-06-1;KBio1_001073;Spectrum_000601;SpecPlus_000033;Spectrum2_000569;Spectrum3_000687;Spectrum4_001501;Spectrum5_000261;BSPBio_002413;KBioGR_002161;KBioSS_001081;SPECTRUM200449;DivK1c_006129;SPBio_000358;CHEMBL1371435;SCHEMBL18517012;CHEBI:92103;KBio2_001081;KBio2_003649;KBio2_006217;KBio3_001633;DTXSID601318026;CCG-38735;SDCCGMLS-0066885.P001;NCGC00095479-01;NCGC00095479-02;NCGC00178664-01;5,7-dihydroxy-2,8-dimethyl-4H-chromen-4-one;5,7-dihydroxy-2,8-dimethyl-1-benzopyran-4-one;BRD-K05737787-001-02-2;Q27163895

Chemical Property of Isoeugenitol

Chemical Property:

• Vapor Pressure: 5.9E-07mmHg at 25°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 206.05790880
• Heavy Atom Count: 15
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=O)C2=C(C=C(C(=C2O1)C)O)O

Technology Process of Isoeugenitol

There total 11 articles about Isoeugenitol 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:

2,4,6-trihydroxy-3-methyl-acetophenon (2657-28-5) + acetic anhydride (108-24-7) → 5,7-dihydroxy-2,6-dimethylchromone (491-48-5) + 5,7-dihydroxy-2,8-dimethylchromone (479-06-1)

Guidance literature:

With sodium acetate; Erwaermen des Reaktionsprodukts mit wss. Natriumcarbonat-Loesung;

Reference yield:

2,4,6-trihydroxy-3-methyl-acetophenon (2657-28-5) + sodium acetate (127-09-3) + acetic anhydride (108-24-7) → 5,7-dihydroxy-2,6-dimethylchromone (491-48-5) + 5,7-dihydroxy-2,8-dimethylchromone (479-06-1)

Guidance literature:

at 175 ℃; Erwaermen des Reaktionsprodukts mit wss.Na₂CO₃;

Reference yield:

7-O-(4-O-methyl-β-glucopyranosyl)isoeugenitol → β-4-O-methyl-D-glycopyranose (14199-59-8,25029-37-2,27552-11-0,31505-21-2,31505-22-3,31505-25-6,55058-39-4,55058-41-8,119720-61-5,120787-75-9) + 5,7-dihydroxy-2,8-dimethylchromone (479-06-1)

Guidance literature:

With hydrogenchloride; water; at 90 ℃; for 15h;

DOI:10.1016/j.tet.2014.10.029

upstream raw materials:

eugenitin

5,7-dimethoxy-2,8-dimethyl-chromen-4-one

2,4,6-trihydroxy-3-methyl-acetophenon

sodium acetate

Downstream raw materials:

8-methyleugenitol

5-hydroxy-7-methoxy-2,6,8-trimethylchromone