Aurantinidin chloride

Base Information

• Chemical Name: Aurantinidin chloride
• CAS No.: 25041-66-1
• Molecular Formula: C₁₅H₁₁O₆*Cl
• Molecular Weight: 322.702
• UNII: D53KRD9FB8
• Wikipedia: Aurantinidin
• Mol file: 25041-66-1.mol

Synonyms:Aurantinidin chloride;25041-66-1;D53KRD9FB8;6-Hydroxypelargonidin chloride;UNII-D53KRD9FB8;1-Benzopyrylium, 3,5,6,7-tetrahydroxy-2-(4-hydroxyphenyl)-, chloride;Flavylium, 3,4,5,6,7-pentahydroxy-, chloride;1-Benzopyrylium, 3,5,6,7-tetrahydroxy-2-(4-hydroxyphenyl)-, chloride (1:1)

Chemical Property of Aurantinidin chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 114.29000
• Density: g/cm³
• LogP: 2.90890
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Methanol (Slightly)
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 322.0244158
• Heavy Atom Count: 22
• Complexity: 356

Purity/Quality:

99% ^*data from raw suppliers

AurantinidinChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(C=C3C(=[O+]2)C=C(C(=C3O)O)O)O)O.[Cl-]
• Uses: Aurantinidin Chloride is an anthocyanin and a derivative of Pelargondin and is an antioxidant.

Technology Process of Aurantinidin chloride

There total 3 articles about Aurantinidin chloride 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-hydroxy-2-(4-hydroxy-phenyl)-5,6,7-trimethoxy-chromenylium; chloride → aurantinidin (25041-66-1)

Guidance literature:

With hydrogen iodide; acetic anhydride; phenol; unter Kohlendioxid, Behandeln des Reaktionsprodukts mit Aethanol, Silberchlorid und Silber und anschliessend mit wss. Salzsaeure;

DOI:10.1039/jr9340001619

Reference yield:

2-hydroxy-4,5,6-trimethoxybenzaldehyde (832-65-5) → aurantinidin (25041-66-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ethyl acetate; hydrogen chloride

2: phenol; aqueous hydriodic acid; acetic acid anhydride / unter Kohlendioxid, Behandeln des Reaktionsprodukts mit Aethanol, Silberchlorid und Silber und anschliessend mit wss. Salzsaeure

With hydrogenchloride; hydrogen iodide; acetic anhydride; ethyl acetate; phenol;

DOI:10.1039/jr9340001619

Reference yield:

2,4’-diacetoxyacetophenone (42528-99-4) → aurantinidin (25041-66-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ethyl acetate; hydrogen chloride

2: phenol; aqueous hydriodic acid; acetic acid anhydride / unter Kohlendioxid, Behandeln des Reaktionsprodukts mit Aethanol, Silberchlorid und Silber und anschliessend mit wss. Salzsaeure

With hydrogenchloride; hydrogen iodide; acetic anhydride; ethyl acetate; phenol;

DOI:10.1039/jr9340001619

upstream raw materials:

2-hydroxy-4,5,6-trimethoxybenzaldehyde

2,4’-diacetoxyacetophenone