Phosphorodichloridic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

Base Information

• Chemical Name: Phosphorodichloridic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
• CAS No.: 63468-52-0
• Molecular Formula: C10H7Cl2O4P
• Molecular Weight: 293.04
• DSSTox Substance ID: DTXSID4069894
• Nikkaji Number: J429.586B
• Wikidata: Q81996986
• Mol file: 63468-52-0.mol

Synonyms:63468-52-0;Phosphorodichloridic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester;C10H7Cl2O4P;SCHEMBL7058731;DTXSID4069894;C10-H7-Cl2-O4-P;Dichloridophosphoric acid 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

Chemical Property of Phosphorodichloridic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

Chemical Property:

• Vapor Pressure: 8.23E-07mmHg at 25°C
• Boiling Point: 406.3°C at 760 mmHg
• Flash Point: 311.6°C
• PSA: 66.32000
• Density: 1.546g/cm³
• LogP: 4.06590
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 291.9459011
• Heavy Atom Count: 17
• Complexity: 403

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(Cl)Cl

Technology Process of Phosphorodichloridic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

There total 1 articles about Phosphorodichloridic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester 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:

7-hydroxy-4-methyl-chromen-2-one (90-33-5,79566-13-5) → 4-methylumbelliferyl phosphodichloridate (63468-52-0)

Guidance literature:

With pyridine; trichlorophosphate; In toluene; at 95 - 110 ℃; for 0.75h;

DOI:10.1039/c6ob00993j

upstream raw materials:

7-hydroxy-4-methyl-chromen-2-one

Refernces