Alpinumisoflavone acetate

Base Information

• Chemical Name: Alpinumisoflavone acetate
• CAS No.: 86989-18-6
• Molecular Formula: C₂₂H₁₈O₆
• Molecular Weight: 378.381
• Hs Code.: 2932999099
• Nikkaji Number: J3.189.621E
• Mol file: 86989-18-6.mol

Synonyms:Alpinumisoflavone acetate;86989-18-6;[4-(5-hydroxy-2,2-dimethyl-6-oxopyrano[3,2-g]chromen-7-yl)phenyl] acetate;2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7-[4-(acetyloxy)phenyl]-5-hydroxy-2,2-dimethyl-;Alpinumisoflavoneacetate;4'-O-Acetylalpinumisoflavone;AKOS022184570;FS-8804

Chemical Property of Alpinumisoflavone acetate

Chemical Property:

• PSA: 85.97000
• LogP: 4.27510
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 378.11033829
• Heavy Atom Count: 28
• Complexity: 700

Purity/Quality:

98% ^*data from raw suppliers

AlpinumisoflavoneAcetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O

Technology Process of Alpinumisoflavone acetate

There total 4 articles about Alpinumisoflavone acetate 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:

acetic anhydride (108-24-7) + alpinumisoflavone (34086-50-5) → Acetic acid 4-(5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[3,2-g]chromen-3-yl)-phenyl ester (86989-18-6)

Guidance literature:

With pyridine; In dichloromethane; at 18 ℃; for 6h;

Reference yield:

3,3-dimethyl acrylaldehyde (107-86-8) → Acetic acid 4-(5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[3,2-g]chromen-3-yl)-phenyl ester (86989-18-6)

Guidance literature:

Multi-step reaction with 2 steps

1: calcium hydroxide / methanol / 48 h / 18 °C

2: pyridine / dichloromethane / 6 h / 18 °C

With pyridine; calcium hydroxide; In methanol; dichloromethane;

Reference yield:

5,7-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-on (446-72-0) → Acetic acid 4-(5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[3,2-g]chromen-3-yl)-phenyl ester (86989-18-6)

Guidance literature:

Multi-step reaction with 2 steps

1: calcium hydroxide / methanol / 48 h / 18 °C

2: pyridine / dichloromethane / 6 h / 18 °C

With pyridine; calcium hydroxide; In methanol; dichloromethane;

upstream raw materials:

alpinumisoflavone

3,3-dimethyl acrylaldehyde

acetic anhydride

5,7-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-on

Refernces

• 1、 Khalid, Sami A.,Waterman, Peter G.. "THONNINGINE-A AND THONNINGINE-B: TWO 3-PHENYLCOUMARINS FROM THE SEEDS OF MILLETTIA THONNINGII". . p. 1001 - 1004. Retrieved 2007/10/02.