Danielone

Base Information

• Chemical Name: Danielone
• CAS No.: 90426-22-5
• Molecular Formula: C10H12 O5
• Molecular Weight: 212.202
• UNII: ST766K7C8F
• DSSTox Substance ID: DTXSID00238169
• Nikkaji Number: J356.229H
• Wikipedia: Danielone
• Wikidata: Q10854210
• Metabolomics Workbench ID: 45047
• Mol file: 90426-22-5.mol

Synonyms:3',5'-dimethoxy-4'-hydroxy-(2-hydroxy)acetophenone;danielone

Chemical Property of Danielone

Chemical Property:

• Vapor Pressure: 8.29E-07mmHg at 25°C
• Melting Point: 145°C
• Boiling Point: 390.8°Cat760mmHg
• Flash Point: 155.8°C
• PSA: 75.99000
• Density: 1.286g/cm³
• LogP: 0.58440
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.06847348
• Heavy Atom Count: 15
• Complexity: 204

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C(=O)CO

Technology Process of Danielone

There total 15 articles about Danielone 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: 95.0%

4'-O-benzyl-α-hydroxyacetosyringone (873978-83-7) → 3',5'-dimethoxy-4'-hydroxy-(2-hydroxy)acetophenone (90426-22-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol;

DOI:10.3390/51201287

Reference yield:

4-amino-butyric acid 2-(4-hydroxy-3,5-dimethoxy-phenyl)-2-oxo-ethyl ester (284043-12-5) → 1-(4-hydroxy-3,5-dimethoxy-phenyl)-ethanone (2478-38-8) + 3',5'-dimethoxy-4'-hydroxy-(2-hydroxy)acetophenone (90426-22-5) + 4-amino-n-butyric acid (56-12-2)

Guidance literature:

With water; UV-irradiation;

DOI:10.1021/ol005856n

Reference yield:

γ-O-(3,5-dimethoxy-4-hydroxyphenacyl) L-glutamate, trifluoroacetate salt → L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + 1-(4-hydroxy-3,5-dimethoxy-phenyl)-ethanone (2478-38-8) + 3',5'-dimethoxy-4'-hydroxy-(2-hydroxy)acetophenone (90426-22-5)

Guidance literature:

With water; UV-irradiation;

DOI:10.1021/ol005856n

upstream raw materials:

α-hydroxyacetosyringone diacetate

4-amino-butyric acid 2-(4-hydroxy-3,5-dimethoxy-phenyl)-2-oxo-ethyl ester

4'-O-benzyl-α-hydroxyacetosyringone

syringic aldehyde