3-diethoxyphosphoryl-3H-isobenzofuran-1-one

Base Information

• Chemical Name: 3-diethoxyphosphoryl-3H-isobenzofuran-1-one
• CAS No.: 17858-15-0
• Molecular Formula: C12H15 O5 P
• Molecular Weight: 270.222
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID20562539
• Nikkaji Number: J847.139H
• Mol file: 17858-15-0.mol

Synonyms:17858-15-0;3-diethoxyphosphoryl-3H-isobenzofuran-1-one;3-diethoxyphosphoryl-3H-2-benzofuran-1-one;diethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate;DIETHYL PHTHALIDE-3-PHOSPHONATE;SCHEMBL2475545;DTXSID20562539;diethyl 3-oxo-1,3-dihydro-2-benzofuran-1-ylphosphonate;diethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate

Chemical Property of 3-diethoxyphosphoryl-3H-isobenzofuran-1-one

Chemical Property:

• PSA: 71.64000
• LogP: 3.12170
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 270.06571057
• Heavy Atom Count: 18
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C1C2=CC=CC=C2C(=O)O1)OCC

Technology Process of 3-diethoxyphosphoryl-3H-isobenzofuran-1-one

There total 1 articles about 3-diethoxyphosphoryl-3H-isobenzofuran-1-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: 89.0%

phthalic anhydride (85-44-9) + diethyl trimethylsilyl phosphite (13716-45-5) → trimethylsilyl 2-{(diethoxyphosphoryl)[(diethoxyphosphoryl)oxy]methyl}benzoate (17858-15-0) + trimethylsilyl 2-{(diethoxyphosphoryl)[(diethoxyphosphoryl)oxy]methyl}benzoate

Guidance literature:

With phosphonic acid diethyl ester; In dichloromethane; Inert atmosphere;

DOI:10.1002/hc.21098

Reference yield:

trimethylsilyl 2-{(diethoxyphosphoryl)[(diethoxyphosphoryl)oxy]methyl}benzoate (17858-15-0) + 2-fluoro-5-formylbenzonitrile (218301-22-5) → 2-fluoro-5-(3-oxo-1,3-dihydroisobenzofuranylidene methyl)benzonitrile (763114-25-6,1379825-89-4)

Guidance literature:

With triethylamine; In 2-methyltetrahydrofuran; at 20 ℃;

upstream raw materials:

phthalic anhydride

diethyl trimethylsilyl phosphite

Downstream raw materials:

2-fluoro-5-(3-oxo-1,3-dihydroisobenzofuranylidene methyl)benzonitrile