4-Phenoxy-2H-1-benzopyran-2-one

Base Information

• Chemical Name: 4-Phenoxy-2H-1-benzopyran-2-one
• CAS No.: 35817-28-8
• Molecular Formula: C₁₅H₁₀O₃
• Molecular Weight: 238.243
• DSSTox Substance ID: DTXSID301304931
• Nikkaji Number: J3.408.237E
• Mol file: 35817-28-8.mol

Synonyms:4-Phenoxy-2H-1-benzopyran-2-one;4-phenyloxycoumarin;SCHEMBL8644443;DTXSID301304931;35817-28-8

Chemical Property of 4-Phenoxy-2H-1-benzopyran-2-one

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.062994177
• Heavy Atom Count: 18
• Complexity: 342

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC(=O)OC3=CC=CC=C32

Technology Process of 4-Phenoxy-2H-1-benzopyran-2-one

There total 12 articles about 4-Phenoxy-2H-1-benzopyran-2-one 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: 90.0%

4-Bromo-2H-1-benzopyran-2-one (938-40-9) + phenol (108-95-2,27073-41-2) → 4-phenoxy-2H-1-benzopyran-2-one (35817-28-8)

Guidance literature:

With potassium phosphate; 2-hydroxy-3-(p-tolyl)-2,3-dihydroindan-1-one; palladium diacetate; In 1,4-dioxane;

DOI:10.1055/s-0036-1589058

Reference yield: 88.0%

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + [bis(acetoxy)iodo]benzene (3240-34-4) → 4-phenoxy-2H-1-benzopyran-2-one (35817-28-8)

Guidance literature:

With copper; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/j.tetlet.2017.09.021

Reference yield: 86.0%

4-(4-toluenesulfonyloxy)coumarin (200055-89-6) + phenol (108-95-2,27073-41-2) → 4-phenoxy-2H-1-benzopyran-2-one (35817-28-8)

Guidance literature:

With potassium phosphate; 2-hydroxy-3-(p-tolyl)-2,3-dihydroindan-1-one; palladium diacetate; In 1,4-dioxane;

DOI:10.1055/s-0036-1589058

upstream raw materials:

6H-<1>benzopyrano<4,3-b><1,4>benzoxanthiin-6-one

4-hydroxy[1]benzopyran-2-one

phenylboronic acid

4-(4-toluenesulfonyloxy)coumarin

Downstream raw materials:

2,3-dihydro-4H-1-benzopyran-4-one

3,3-diphenyl-1-(2-hydroxyphenyl)-2-propen-1-one

3-chloro-4-phenoxy-2-coumarin

coumestan