Nordentatin

Base Information

• Chemical Name: Nordentatin
• CAS No.: 17820-07-4
• Molecular Formula: C19H20 O4
• Molecular Weight: 312.365
• Hs Code.: 2932999099
• European Community (EC) Number: 803-278-9
• DSSTox Substance ID: DTXSID10170440
• Nikkaji Number: J14.253K
• Wikidata: Q83040354
• Metabolomics Workbench ID: 140793
• ChEMBL ID: CHEMBL509649
• Mol file: 17820-07-4.mol

Synonyms:nordentatin

Chemical Property of Nordentatin

Chemical Property:

• Vapor Pressure: 1.22E-09mmHg at 25°C
• Boiling Point: 474.8°C at 760 mmHg
• Flash Point: 169.9°C
• PSA: 59.67000
• Density: 1.185g/cm³
• LogP: 4.14640
• Storage Temp.: ?20°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 312.13615911
• Heavy Atom Count: 23
• Complexity: 572

Purity/Quality:

99% ^*data from raw suppliers

Nordentatin ≥95% (LC/MS-ELSD) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C3=C(C(=C2O)C(C)(C)C=C)OC(=O)C=C3)C

Technology Process of Nordentatin

There total 5 articles about Nordentatin 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: 96.0%

7-acetoxy-8-(1,1-dimethylallyl)alloxanthyletin (1269634-74-3) → 7-hydroxy-8-(1,1-dimethylallyl)alloxanthyletin (17820-07-4)

Guidance literature:

With methanol; sodium hydroxide; at 20 ℃; for 3h;

DOI:10.14233/ajchem.2013.13687

Reference yield:

3,5-dihydroxyphenol (108-73-6) → 7-hydroxy-8-(1,1-dimethylallyl)alloxanthyletin (17820-07-4)

Guidance literature:

Multi-step reaction with 5 steps

1: zinc(II) chloride / 2 h / 100 °C

2: pyridine / 4 h / 115 °C

3: potassium carbonate / acetone / 1 h / Reflux

4: sodium acetate / 20 h / Reflux

5: sodium hydroxide; methanol / 3 h / 20 °C

With pyridine; methanol; sodium acetate; potassium carbonate; sodium hydroxide; zinc(II) chloride; In acetone;

DOI:10.14233/ajchem.2013.13687

Reference yield:

5,7-dihydroxy-2H-chromen-2-one (2732-18-5) → 7-hydroxy-8-(1,1-dimethylallyl)alloxanthyletin (17820-07-4)

Guidance literature:

Multi-step reaction with 4 steps

1: pyridine / 4 h / 115 °C

2: potassium carbonate / acetone / 1 h / Reflux

3: sodium acetate / 20 h / Reflux

4: sodium hydroxide; methanol / 3 h / 20 °C

With pyridine; methanol; sodium acetate; potassium carbonate; sodium hydroxide; In acetone;

DOI:10.14233/ajchem.2013.13687

upstream raw materials:

3,5-dihydroxyphenol

5,7-dihydroxy-2H-chromen-2-one

7-hydroxy-5',5a'-dimethylpyrano[2',3'-f]-(2H)-chromen-2-one

7-prenyloxyalloxanthyletin

Refernces