CID 14334937

Base Information

• Chemical Name: CID 14334937
• CAS No.: 63347-43-3
• Molecular Formula: C22H20O10
• Molecular Weight: 444.395
• Wikidata: Q105022102
• Mol file: 63347-43-3.mol

Synonyms:Rothindin;3-(1,3-benzodioxol-5-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Chemical Property of CID 14334937

Chemical Property:

• Vapor Pressure: 4.77E-22mmHg at 25°C
• Boiling Point: 724.8°Cat760mmHg
• Flash Point: 256.8°C
• Density: 1.601g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 444.10564683
• Heavy Atom Count: 32
• Complexity: 728

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O

Technology Process of CID 14334937

There total 4 articles about CID 14334937 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: 92.0%

rothindin tetraacetate (58528-02-2) → pseudobaptigenin 7‐O‐β‐D‐glucoside (63347-43-3)

Guidance literature:

With zinc diacetate; In methanol; for 7h; Heating;

DOI:10.1081/SCC-100106200

Reference yield:

7-hydroxy-3',4'-methylenedioxyisoflavone (90-29-9) → pseudobaptigenin 7‐O‐β‐D‐glucoside (63347-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / K₂CO₃; dodecyltrimethylammonium bromide / acetone; dimethylformamide / 5 h / Heating

2: 92 percent / Zn(OAc)2 / methanol / 7 h / Heating

With zinc diacetate; dodecyltrimethylammonium bromide; potassium carbonate; In methanol; N,N-dimethyl-formamide; acetone;

DOI:10.1081/SCC-100106200

Reference yield:

2,3,4,6-tetra-O-acetyl-D-glucopyranosyl bromide (572-09-8,3068-32-4,4026-32-8,6919-96-6,13242-53-0,14227-54-4,14795-18-7,19186-59-5,19285-38-2,21698-13-5,29907-26-4,53369-42-9,60619-58-1,61303-35-3,67337-79-5,69127-37-3,70749-15-4,72002-90-5,75247-30-2,75880-74-9,78418-57-2,102339-89-9,102339-90-2,103530-40-1,114028-03-4,114718-45-5,138514-70-2,138514-71-3) → pseudobaptigenin 7‐O‐β‐D‐glucoside (63347-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / K₂CO₃; dodecyltrimethylammonium bromide / acetone; dimethylformamide / 5 h / Heating

2: 92 percent / Zn(OAc)2 / methanol / 7 h / Heating

With zinc diacetate; dodecyltrimethylammonium bromide; potassium carbonate; In methanol; N,N-dimethyl-formamide; acetone;

DOI:10.1081/SCC-100106200

upstream raw materials:

rothindin tetraacetate

2,3,4,6-tetra-O-acetyl-D-glucopyranosyl bromide

7-hydroxy-3',4'-methylenedioxyisoflavone

Downstream raw materials:

7-hydroxy-3',4'-methylenedioxyisoflavone

Refernces