1,4-Bis(diethoxyphosphoryl)benzene

Base Information

• Chemical Name: 1,4-Bis(diethoxyphosphoryl)benzene
• CAS No.: 21267-14-1
• Molecular Formula: C14H24O6P2
• Molecular Weight: 350.288
• Hs Code.: 2916399090
• European Community (EC) Number: 244-303-8
• UNII: 4PH4SV78AQ
• DSSTox Substance ID: DTXSID10175516
• Nikkaji Number: J226.176F
• Wikidata: Q83045880
• Mol file: 21267-14-1.mol

Synonyms:1,4-bis(diethoxyphosphoryl)benzene;21267-14-1;Tetraethyl 1,4-phenylenebisphosphonate;4PH4SV78AQ;TETRAETHYL-1,4-BENZENEDIPHOSPHONATE;UNII-4PH4SV78AQ;SCHEMBL6829825;DTXSID10175516;EINECS 244-303-8;BBL103702;MFCD05663687;STL557512;tetraethyl 1,4-phenylenediphosphonate;AKOS017343336;Tetraethyl (1,4-benzene)bisphosphonate;p-Xylylenediphoric Acid Tetraethyl Ester;tetraethyl benzene-1,4-diylbis(phosphonate);1,4-benzene-diphosphonic acid tetra-ethyl ester;1.4-benzene-diphosphonic acid tetra-ethyl ester;(1,4-Phenylene)bis(phosphonic acid diethyl) ester;Phosphonic acid, 1,4-phenylenebis-, tetraethyl ester;P,P,P',P'-Tetraethyl P,P'-(1,4-phenylene)bis[phosphonate];Phosphonic acid, P,P'-(1,4-phenylene)bis-, P,P,P',P'-tetraethyl ester

Chemical Property of 1,4-Bis(diethoxyphosphoryl)benzene

Chemical Property:

• Vapor Pressure: 9.11E-07mmHg at 25°C
• Boiling Point: 416.6°Cat760mmHg
• Flash Point: 219.2°C
• PSA: 90.68000
• Density: 1.17g/cm³
• LogP: 3.46940
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 350.10481248
• Heavy Atom Count: 22
• Complexity: 348

Purity/Quality:

99% ^*data from raw suppliers

TETRAETHYL-1,4-BENZENEDIPHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C1=CC=C(C=C1)P(=O)(OCC)OCC)OCC

Technology Process of 1,4-Bis(diethoxyphosphoryl)benzene

There total 11 articles about 1,4-Bis(diethoxyphosphoryl)benzene 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: 92.0%

para-diiodobenzene (624-38-4,1032416-46-8) + triethyl phosphite (122-52-1) → tetraethyl 1,4-phenylbis(phosphonate) (21267-14-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 7h;

DOI:10.1039/d1nj03468e

Reference yield: 88.0%

1.4-dibromobenzene (106-37-6) + triethyl phosphite (122-52-1) → tetraethyl 1,4-phenylbis(phosphonate) (21267-14-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 7h;

DOI:10.1039/d1nj03468e

Reference yield: 81.0%

1.4-dibromobenzene (106-37-6) + phosphonic acid diethyl ester (762-04-9) → tetraethyl 1,4-phenylbis(phosphonate) (21267-14-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In toluene; at 90 ℃; for 8h;

DOI:10.1246/bcsj.55.909

upstream raw materials:

pinacolone enolate anion

diethyl phosphite

(4-iodophenyl)phosphonate de diethyle

1.4-dibromobenzene

Downstream raw materials:

1,4-phenylenebis(phosphonic acid)

1,4-distyrylbenzene

(E,E')-di-tert-butyl benzene-1,4-dipropenoate