5-Phenoxyisobenzofuran-1,3-dione

Base Information

• Chemical Name: 5-Phenoxyisobenzofuran-1,3-dione
• CAS No.: 21345-01-7
• Molecular Formula: C14H8O4
• Molecular Weight: 240.215
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID30495420
• Wikidata: Q72501103
• Mol file: 21345-01-7.mol

Synonyms:5-Phenoxyisobenzofuran-1,3-dione;21345-01-7;5-Phenoxy-2-benzofuran-1,3-dione;5-Phenoxy-1,3-isobenzofurandione;5-phenoxy-1,3-dihydro-2-benzofuran-1,3-dione;4-Phenoxyphthalic anhydride;1,3-Isobenzofurandione, 5-phenoxy-;SCHEMBL2828515;DTXSID30495420;AMY23553;BCP17249;5-phenoxy-2-benzofuran-1, 3-dione;MFCD00127685;AKOS016011724;BS-49771;CS-0197007

Chemical Property of 5-Phenoxyisobenzofuran-1,3-dione

Chemical Property:

• Melting Point: 112-113°C
• Boiling Point: 414.9 °C at 760 mmHg
• Flash Point: 187.8 °C
• PSA: 52.60000
• Density: 1.387 g/cm³
• LogP: 2.78950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 240.04225873
• Heavy Atom Count: 18
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

5-Phenoxyisobenzofuran-1,3-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)OC3=O

Technology Process of 5-Phenoxyisobenzofuran-1,3-dione

There total 5 articles about 5-Phenoxyisobenzofuran-1,3-dione 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:

4-phenoxyphthalic acid (37951-15-8) → 4-phenoxyphthalic anhydride (21345-01-7)

Guidance literature:

With acetyl chloride; Heating;

Reference yield:

4-Nitrophthalonitrile (31643-49-9) → 4-phenoxyphthalic anhydride (21345-01-7)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / dimethyl sulfoxide / 48 h / 20 °C / Inert atmosphere

2: sodium hydroxide / methanol / 48 h / Reflux

3: acetic anhydride; acetic acid / 3 h / Resolution of racemate

With acetic anhydride; potassium carbonate; acetic acid; sodium hydroxide; In methanol; dimethyl sulfoxide;

Reference yield:

phenol (108-95-2,27073-41-2) → 4-phenoxyphthalic anhydride (21345-01-7)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / dimethyl sulfoxide / 48 h / 20 °C / Inert atmosphere

2: sodium hydroxide / methanol / 48 h / Reflux

3: acetic anhydride; acetic acid / 3 h / Resolution of racemate

With acetic anhydride; potassium carbonate; acetic acid; sodium hydroxide; In methanol; dimethyl sulfoxide;

upstream raw materials:

4-phenoxyphthalic acid

4-Nitrophthalonitrile

phenol

4-phenoxyphthalonitrile

Downstream raw materials:

N-methylphthalimide

Cu(C₈H₃N₂OC₆H₅)4

C₁₈H₁₃NO₆

[(4-hydroxy-1-methyl-7-phenoxy-isoquinoline-3-carbonyl)-amino]-acetic acid

Refernces

• 1、 -. "CRYSTAL TYPES OF COMPOUNDS INHIBITING ACTIVITY OF PROLYL HYDROXYLASE AND USE THEREOF". Paragraph 0145; 0151; 0152. . Retrieved 2017/10/27.
• 2、 -. "POLYMORPHIC FORMS OF COMPOUNDS AS PROLYL HYDROXYLASE INHIBITOR, AND USES THEREOF". Page/Page column 16. . Retrieved 2013/03/26.