4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-(acetyloxy)phenoxy)-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-(acetyloxy)phenoxy)-
• CAS No.: 137988-22-8
• Molecular Formula: C₁₉H₁₄O₇
• Molecular Weight: 354.316
• DSSTox Substance ID: DTXSID10160447
• Wikidata: Q83028815
• Mol file: 137988-22-8.mol

Synonyms:4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-(acetyloxy)phenoxy)-;BRN 5454060;137988-22-8;[4-(7-acetyloxy-4-oxochromen-3-yl)oxyphenyl] acetate;7-(Acetyloxy)-3-(4-(acetyloxy)phenoxy)-4H-1-benzopyran-4-one;4-{[7-(acetyloxy)-4-oxo-4H-chromen-3-yl]oxy}phenyl acetate;Oprea1_638759;SCHEMBL18550797;DTXSID10160447;STL578323;AKOS040892197;LS-39418

Chemical Property of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-(acetyloxy)phenoxy)-

Chemical Property:

• Vapor Pressure: 6.49E-10mmHg at 25°C
• Boiling Point: 494.4°Cat760mmHg
• Flash Point: 218.4°C
• Density: 1.363g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 354.07395278
• Heavy Atom Count: 26
• Complexity: 589

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C

Technology Process of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-(acetyloxy)phenoxy)-

There total 5 articles about 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-(acetyloxy)phenoxy)- 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: 97.3%

acetic anhydride (108-24-7) + 3-(4-hydroxyphenyl)-7-hydroxychromone (196928-53-7) → Acetic acid 3-(4-acetoxy-phenoxy)-4-oxo-4H-chromen-7-yl ester (137988-22-8)

Guidance literature:

With pyridine; for 0.05h; Heating;

DOI:10.1007/BF00767267

Reference yield:

2-(4-methoxyphenoxy)acetonitrile (22446-12-4) → Acetic acid 3-(4-acetoxy-phenoxy)-4-oxo-4H-chromen-7-yl ester (137988-22-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) HCl, 2.) zinc chloride, HCl, 3.) water

2: 95 percent / boron trifluoride etherate, phosphorus trichloride / 50 - 60 °C

3: 96.4 percent / HBr/glacial acetic acid / 100 °C

4: 97.3 percent / pyridine / 0.05 h / Heating

With pyridine; hydrogenchloride; boron trifluoride diethyl etherate; water; hydrogen bromide; acetic acid; zinc(II) chloride; phosphorus trichloride;

DOI:10.1007/BF00767267

Reference yield:

2,4-dihydroxy-α-(4-methoxyphenoxy)acetophenone (121361-55-5) → Acetic acid 3-(4-acetoxy-phenoxy)-4-oxo-4H-chromen-7-yl ester (137988-22-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 95 percent / boron trifluoride etherate, phosphorus trichloride / 50 - 60 °C

2: 96.4 percent / HBr/glacial acetic acid / 100 °C

3: 97.3 percent / pyridine / 0.05 h / Heating

With pyridine; boron trifluoride diethyl etherate; hydrogen bromide; acetic acid; phosphorus trichloride;

DOI:10.1007/BF00767267

upstream raw materials:

acetic anhydride

3-(4-hydroxyphenyl)-7-hydroxychromone

2-(4-methoxyphenoxy)acetonitrile

2,4-dihydroxy-α-(4-methoxyphenoxy)acetophenone