3-Phenoxyisobenzofuran-1(3H)-one

Base Information

• Chemical Name: 3-Phenoxyisobenzofuran-1(3H)-one
• CAS No.: 61133-42-4
• Molecular Formula: C14H10O3
• Molecular Weight: 226.232
• DSSTox Substance ID: DTXSID90443765
• Nikkaji Number: J343.994A
• Mol file: 61133-42-4.mol

Synonyms:3-Phenoxyisobenzofuran-1(3H)-one;61133-42-4;phenoxyphthalide;1(3H)-Isobenzofuranone, 3-phenoxy-;SCHEMBL9455633;DTXSID90443765

Chemical Property of 3-Phenoxyisobenzofuran-1(3H)-one

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 226.062994177
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2C3=CC=CC=C3C(=O)O2

Technology Process of 3-Phenoxyisobenzofuran-1(3H)-one

There total 4 articles about 3-Phenoxyisobenzofuran-1(3H)-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: 85.0%

3-chloro-1(3H)-isobenzofuranone (6295-21-2) + thallous phenoxide (25491-50-3) → 3-phenoxy-1,3-dihydro-1-isobenzofuranone (61133-42-4)

Guidance literature:

In N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1021/jo00174a024

Reference yield: 79.0%

carbon monoxide (201230-82-2) + ortho-bromobenzaldehyde (6630-33-7) + phenol (108-95-2,27073-41-2) → 3-phenoxy-1,3-dihydro-1-isobenzofuranone (61133-42-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; triethylamine; triphenylphosphine; In acetonitrile; at 80 ℃; for 1h; under 15200 Torr;

DOI:10.1002/jhet.5570360446

Reference yield: 72.0%

3-chloro-1(3H)-isobenzofuranone (6295-21-2) + phenol (108-95-2,27073-41-2) → 3-phenoxy-1,3-dihydro-1-isobenzofuranone (61133-42-4)

Guidance literature:

With potassium carbonate; In acetone; for 52h; Ambient temperature;

DOI:10.1021/jo00169a035

upstream raw materials:

3-chloro-1(3H)-isobenzofuranone

thallous phenoxide

phenol

3-Bromophthalide

Downstream raw materials:

2-formylbenzoic acid anion

phenol

3-(4-methoxyphenoxy)-1,3-dihydro-1-isobenzofuranone